[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(phenoxymethyl)benzoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(phenoxymethyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C26H24N2O4 MolecularWeight: 428.47976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2COC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2COC3=CC=CC=C3

InChI

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