[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C25H21FN2O3/c26-22-13-6-7-14-23(22)28(16-8-15-27)24(29)18-31-25(30)21-12-5-4-11-20(21)17-19-9-2-1-3-10-19/h1-7,9-14H,8,16-18H2