[(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] 3-(dimethylamino)benzoate

Systemtic Name: [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] 3-(dimethylamino)benzoate Openeye Name: [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxo-pyrrolidin-3-yl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [(3S,5S)-2-keto-5-(2-methoxyphenyl)-1-methyl-pyrrolidin-3-yl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1=O)OC(=O)C2=CC(=CC=C2)N(C)C)C3=CC=CC=C3OC

Isomeric SMILES

CN1[C@@H](C[C@@H](C1=O)OC(=O)C2=CC(=CC=C2)N(C)C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H24N2O4/c1-22(2)15-9-7-8-14(12-15)21(25)27-19-13-17(23(3)20(19)24)16-10-5-6-11-18(16)26-4/h5-12,17,19H,13H2,1-4H3/t17-,19-/m0/s1