ethyl 4-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(3S)-1-(3-chloro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(3-chloro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-3-28-21(27)14-5-7-16(8-6-14)23-20(26)15-10-19(25)24(12-15)17-9-4-13(2)18(22)11-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,23,26)/t15-/m0/s1