[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

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