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

Systemtic Name: methyl 4-[[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-13-4-9-18(10-14(13)2)23-12-16(11-19(23)24)20(25)22-17-7-5-15(6-8-17)21(26)27-3/h4-10,16H,11-12H2,1-3H3,(H,22,25)/t16-/m0/s1