methyl 2-[2-(4-fluorophenyl)ethyl]-5-[(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)methylamino]benzoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethyl]-5-[(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)methylamino]benzoate Openeye Name: methyl 2-[2-(4-fluorophenyl)ethyl]-5-[(1-methyl-4-methylsulfanyl-pyrrolidin-2-yl)methylamino]benzoate CAS Name: 2-[2-(4-fluorophenyl)ethyl]-5-[[1-methyl-4-(methylthio)-2-pyrrolidinyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)ethyl]-5-[(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methylamino]benzoate Traditional Name: 2-[2-(4-fluorophenyl)ethyl]-5-[[1-methyl-4-(methylthio)pyrrolidin-2-yl]methylamino]benzoic acid methyl ester Formula: C23H29FN2O2S MolecularWeight: 416.551963

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1CNC2=CC(=C(C=C2)CCC3=CC=C(C=C3)F)C(=O)OC)SC

Isomeric SMILES

CN1CC(CC1CNC2=CC(=C(C=C2)CCC3=CC=C(C=C3)F)C(=O)OC)SC

InChI

InChI=1S/C23H29FN2O2S/c1-26-15-21(29-3)13-20(26)14-25-19-11-8-17(22(12-19)23(27)28-2)7-4-16-5-9-18(24)10-6-16/h5-6,8-12,20-21,25H,4,7,13-15H2,1-3H3