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

Systemtic Name: [(S)-[(3R,4S)-4-ethenyl-1-methyl-2-oxidanylidene-pyrrolidin-3-yl]-phenyl-methyl] benzoate Openeye Name: [(S)-[(3R,4S)-1-methyl-2-oxo-4-vinyl-pyrrolidin-3-yl]-phenyl-methyl] benzoate CAS Name: benzoic acid [(S)-[(3R,4S)-4-ethenyl-1-methyl-2-oxo-3-pyrrolidinyl]-phenylmethyl] ester IUPAC Name: [(S)-[(3R,4S)-4-ethenyl-1-methyl-2-oxopyrrolidin-3-yl]-phenylmethyl] benzoate Traditional Name: benzoic acid [(S)-[(3R,4S)-2-keto-1-methyl-4-vinyl-pyrrolidin-3-yl]-phenyl-methyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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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)C=C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-3-15-14-22(2)20(23)18(15)19(16-10-6-4-7-11-16)25-21(24)17-12-8-5-9-13-17/h3-13,15,18-19H,1,14H2,2H3/t15-,18-,19-/m1/s1