ethyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]benzoate

Systemtic Name: ethyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]benzoate Openeye Name: ethyl 4-[(2-oxopyrrolidin-1-yl)methyl-[3-(trifluoromethyl)benzoyl]amino]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl-[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxopyrrolidin-1-yl)methyl-[3-(trifluoromethyl)benzoyl]amino]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl-[3-(trifluoromethyl)benzoyl]amino]benzoic acid ethyl ester Formula: C22H21F3N2O4 MolecularWeight: 434.40835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O4/c1-2-31-21(30)15-8-10-18(11-9-15)27(14-26-12-4-7-19(26)28)20(29)16-5-3-6-17(13-16)22(23,24)25/h3,5-6,8-11,13H,2,4,7,12,14H2,1H3