butyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid butyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C24H28N2O4/c1-4-5-12-30-24(29)18-7-9-20(10-8-18)25-23(28)19-14-22(27)26(15-19)21-11-6-16(2)17(3)13-21/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,25,28)/t19-/m0/s1