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

Systemtic Name: methyl 4-[[(3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C20H19ClN2O4/c1-12-3-8-16(10-17(12)21)23-11-14(9-18(23)24)19(25)22-15-6-4-13(5-7-15)20(26)27-2/h3-8,10,14H,9,11H2,1-2H3,(H,22,25)/t14-/m0/s1