(4-ethanoylphenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-acetylphenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-acetylphenyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C21H21NO4/c1-13-5-4-6-19(14(13)2)22-12-17(11-20(22)24)21(25)26-18-9-7-16(8-10-18)15(3)23/h4-10,17H,11-12H2,1-3H3/t17-/m0/s1