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

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C22H24N2O6/c1-15-6-8-16(9-7-15)24(11-5-10-23)21(25)14-30-22(26)17-12-19(28-3)20(29-4)13-18(17)27-2/h6-9,12-13H,5,11,14H2,1-4H3