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

Systemtic Name: propyl 4-[[1-(3-chloranyl-4-fluoranyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-(3-chloro-4-fluoro-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3-chloro-4-fluorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-chloro-4-fluoro-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid propyl ester Formula: C21H20ClFN2O4 MolecularWeight: 418.845903

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN2O4/c1-2-9-29-21(28)13-3-5-15(6-4-13)24-20(27)14-10-19(26)25(12-14)16-7-8-18(23)17(22)11-16/h3-8,11,14H,2,9-10,12H2,1H3,(H,24,27)