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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-phenylmethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-benzyloxybenzoate CAS Name: 2-phenylmethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-phenylmethoxybenzoate Traditional Name: 2-benzoxybenzoic 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)COC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

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