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

Systemtic Name: propyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-4-11-29-23(28)17-6-8-19(9-7-17)24-22(27)18-13-21(26)25(14-18)20-10-5-15(2)16(3)12-20/h5-10,12,18H,4,11,13-14H2,1-3H3,(H,24,27)/t18-/m0/s1