[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4/c26-16-7-17-27(22-10-5-2-6-11-22)23(28)18-31-25(30)21-14-12-20(13-15-21)24(29)19-8-3-1-4-9-19/h1-6,8-15H,7,17-18H2