[3-(trifluoromethyl)phenyl]methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C18H13F3N2O3 MolecularWeight: 362.30263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H13F3N2O3/c19-18(20,21)14-3-1-2-12(10-14)11-26-17(25)13-4-6-15(7-5-13)23-16(24)8-9-22/h1-7,10H,8,11H2,(H,23,24)