[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O5/c1-25-17-11-6-10-16(19(17)26-2)20(24)27-14-18(23)22(13-7-12-21)15-8-4-3-5-9-15/h3-6,8-11H,7,13-14H2,1-2H3