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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C26H21FN2O4 MolecularWeight: 444.454343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H21FN2O4/c1-18-7-9-19(10-8-18)25(31)22-5-2-3-6-23(22)26(32)33-17-24(30)29(16-4-15-28)21-13-11-20(27)12-14-21/h2-3,5-14H,4,16-17H2,1H3