[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-15-5-7-17(8-6-15)23(10-4-9-22)20(24)14-28-21(25)16-11-18(26-2)13-19(12-16)27-3/h5-8,11-13H,4,10,14H2,1-3H3