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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)methoxy]benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(o-tolylmethoxy)benzoate CAS Name: 2-[(2-methylphenyl)methoxy]benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(2-methylphenyl)methoxy]benzoate Traditional Name: 2-(2-methylbenzyl)oxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O4/c1-20-10-5-6-11-21(20)18-31-24-15-8-7-14-23(24)26(30)32-19-25(29)28(17-9-16-27)22-12-3-2-4-13-22/h2-8,10-15H,9,17-19H2,1H3