ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-6-fluoranyl-phenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate Openeye Name: ethyl 4-[(2-chloro-6-fluoro-benzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate CAS Name: 4-[[(2-chloro-6-fluorophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-6-fluorobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate Traditional Name: 4-[(2-chloro-6-fluoro-benzoyl)-[(2-ketopyrrolidino)methyl]amino]benzoic acid ethyl ester Formula: C21H20ClFN2O4 MolecularWeight: 418.845903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=C(C=CC=C3Cl)F

InChI

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