[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-26-17-13-19(28-3)18(27-2)12-16(17)21(25)29-14-20(24)23(11-7-10-22)15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,11,14H2,1-3H3