[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H19FN2O4 MolecularWeight: 370.374263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H19FN2O4/c1-2-26-18-10-4-15(5-11-18)20(25)27-14-19(24)23(13-3-12-22)17-8-6-16(21)7-9-17/h4-11H,2-3,13-14H2,1H3