Mrv1572004221604172D 23 25 0 0 0 0 999 V2000 5.7140 2.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 -0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 -0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 -0.9177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8393 0.9360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0015 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 0.0092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 1.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -1.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 1.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 0.7077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 11 1 1 0 0 0 0 11 6 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 12 6 1 0 0 0 0 12 8 2 0 0 0 0 13 7 2 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 15 10 1 0 0 0 0 16 9 1 0 0 0 0 16 10 1 0 0 0 0 17 13 1 0 0 0 0 18 3 1 0 0 0 0 18 14 1 0 0 0 0 18 15 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 20 17 1 0 0 0 0 14 21 1 1 0 0 0 15 22 1 1 0 0 0 23 16 1 0 0 0 0 M END > NP0277100 > NP-MRD > [H][C@]12CC[C@]([H])(CC([H])(C1)OC(=O)C1=CC(C)=CC(C)=C1)N2C > InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16? > HDDNYFLPWFSBLN-XYPWUTKMSA-N > C17H23NO2 > 273.376 > 273.172878985 > 2 > 43 > 31.852726148293122 > 1 > 0 > 0 > 1 > (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dimethylbenzoate > 3.12 > 3.555703292333333 > -2.86 > 0 > 3 > 1 > 9.359584133785775 > 29.540000000000003 > 80.49819999999998 > 3 > 1 > 3.76e-01 g/l > (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3,5-dimethylbenzoate > 1 > NP0277100 > tropanserin $$$$