[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H18FN3O4/c1-2-17(19(26)24-16-9-5-14(21)6-10-16)28-20(27)13-3-7-15(8-4-13)23-18(25)11-12-22/h3-10,17H,2,11H2,1H3,(H,23,25)(H,24,26)