[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H27NO6/c1-14-7-6-8-17(11-14)23-22(25)15(2)29-20(24)10-9-16-12-18(26-3)21(28-5)19(13-16)27-4/h6-8,11-13,15H,9-10H2,1-5H3,(H,23,25)