[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C25H21FN2O4 MolecularWeight: 432.443643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN2O4/c26-21-12-14-22(15-13-21)28(17-7-16-27)23(29)18-32-24(30)25(31,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-15,31H,7,17-18H2