ethyl 2-[[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O4/c1-3-27-21(26)17-6-4-5-7-18(17)22-20(25)15-12-19(24)23(13-15)16-10-8-14(2)9-11-16/h4-11,15H,3,12-13H2,1-2H3,(H,22,25)/t15-/m0/s1