[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO6/c1-15-6-4-7-17(12-15)27-11-5-8-21(24)28-14-20(23)22-16-9-10-18(25-2)19(13-16)26-3/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,22,23)