[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H27NO6/c1-15-7-5-6-8-17(15)13-23-20(24)14-29-21(25)10-9-16-11-18(26-2)22(28-4)19(12-16)27-3/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,23,24)