[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)F

InChI

InChI=1S/C20H18FN3O4/c21-16-5-1-14(2-6-16)10-12-23-19(26)13-28-20(27)15-3-7-17(8-4-15)24-18(25)9-11-22/h1-8H,9-10,12-13H2,(H,23,26)(H,24,25)