Mrv1533004241516482D 32 34 0 0 0 0 999 V2000 -1.0974 -3.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -2.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -0.0809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 -0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 1.3480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8099 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2224 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8099 4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 -1.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 -2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 -2.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 4 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 5 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 3 32 1 0 0 0 0 28 32 2 0 0 0 0 M END > NP0318730 > NP-MRD > COC1=CC(CC(=CNC(C)=O)N(CC(=O)CC2=CC=CC=C2)C(C)=O)=CC2=C1OCO2 > InChI=1S/C24H26N2O6/c1-16(27)25-13-20(9-19-11-22(30-3)24-23(12-19)31-15-32-24)26(17(2)28)14-21(29)10-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,25,27) > HATJVFBKNDNVNS-UHFFFAOYSA-N > C24H26N2O6 > 438.48 > 438.179086565 > 6 > 58 > 45.715207553960546 > 1 > 1 > 0 > 1 > N-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-[N-(2-oxo-3-phenylpropyl)acetamido]prop-1-en-1-yl]acetamide > 2.31 > 1.349168021333334 > -4.52 > 1 > 3 > 0 > 14.928793349836333 > 13.879054759243918 > -4.428051694959089 > 94.17000000000002 > 118.05630000000002 > 9 > 1 > 1.32e-02 g/l > N-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-[N-(2-oxo-3-phenylpropyl)acetamido]prop-1-en-1-yl]acetamide > 0 > NP0318730 > n-[3-(7-methoxy-2h-1,3-benzodioxol-5-yl)-2-[n-(2-oxo-3-phenylpropyl)acetamido]prop-1-en-1-yl]ethanimidic acid $$$$