(4-ethanoylphenyl) (3S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) (3S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-acetylphenyl) (3S)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxylic acid (4-acetylphenyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H21NO4/c1-14-3-5-16(6-4-14)12-22-13-18(11-20(22)24)21(25)26-19-9-7-17(8-10-19)15(2)23/h3-10,18H,11-13H2,1-2H3/t18-/m0/s1