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

Systemtic Name: [2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylcarbonyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic acid [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H22N2O5/c1-32-23-15-8-7-14-22(23)28(17-9-16-27)24(29)18-33-26(31)21-13-6-5-12-20(21)25(30)19-10-3-2-4-11-19/h2-8,10-15H,9,17-18H2,1H3