methyl 4-[[1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2,5-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=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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