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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

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