[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H17FN2O4 MolecularWeight: 368.358383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)NC(=O)CC#N

InChI

InChI=1S/C20H17FN2O4/c21-16-7-3-14(4-8-16)18(24)2-1-13-27-20(26)15-5-9-17(10-6-15)23-19(25)11-12-22/h3-10H,1-2,11,13H2,(H,23,25)