methyl 4-chloranyl-3-[[1-(2-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(2-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(2-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(2-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-(2-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C20H18ClFN2O4 MolecularWeight: 404.819323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O4/c1-11-3-6-17(15(22)7-11)24-10-13(9-18(24)25)19(26)23-16-8-12(20(27)28-2)4-5-14(16)21/h3-8,13H,9-10H2,1-2H3,(H,23,26)