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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-benzylbenzoate CAS Name: 2-(phenylmethyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-benzylbenzoate Traditional Name: 2-benzylbenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O3/c26-16-9-17-27(22-13-5-2-6-14-22)24(28)19-30-25(29)23-15-8-7-12-21(23)18-20-10-3-1-4-11-20/h1-8,10-15H,9,17-19H2