[(S)-[(3R,4S)-1-methyl-4-(3-methylimidazol-4-yl)-2-oxidanylidene-pyrrolidin-3-yl]-phenyl-methyl] benzoate

Systemtic Name: [(S)-[(3R,4S)-1-methyl-4-(3-methylimidazol-4-yl)-2-oxidanylidene-pyrrolidin-3-yl]-phenyl-methyl] benzoate Openeye Name: [(S)-[(3R,4S)-1-methyl-4-(3-methylimidazol-4-yl)-2-oxo-pyrrolidin-3-yl]-phenyl-methyl] benzoate CAS Name: benzoic acid [(S)-[(3R,4S)-1-methyl-4-(3-methyl-4-imidazolyl)-2-oxo-3-pyrrolidinyl]-phenylmethyl] ester IUPAC Name: [(S)-[(3R,4S)-1-methyl-4-(3-methylimidazol-4-yl)-2-oxopyrrolidin-3-yl]-phenylmethyl] benzoate Traditional Name: benzoic acid [(S)-[(3R,4S)-2-keto-1-methyl-4-(3-methylimidazol-4-yl)pyrrolidin-3-yl]-phenyl-methyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CN=CN4C

Isomeric SMILES

CN1C[C@H]([C@@H](C1=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CN=CN4C

InChI

InChI=1S/C23H23N3O3/c1-25-14-18(19-13-24-15-26(19)2)20(22(25)27)21(16-9-5-3-6-10-16)29-23(28)17-11-7-4-8-12-17/h3-13,15,18,20-21H,14H2,1-2H3/t18-,20+,21+/m0/s1