[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-keto-2-[methyl-(2-methylbenzyl)amino]ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C21H25NO6/c1-14-8-6-7-9-15(14)12-22(2)18(23)13-28-21(24)16-10-11-17(25-3)20(27-5)19(16)26-4/h6-11H,12-13H2,1-5H3