[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC

InChI

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