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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C22H27NO7/c1-26-17-8-5-15(11-19(17)28-3)7-10-22(25)30-14-21(24)23-13-16-6-9-18(27-2)20(12-16)29-4/h5-6,8-9,11-12H,7,10,13-14H2,1-4H3,(H,23,24)