2-(3,4-dimethoxyphenyl)ethanamine; (4-methoxyphenyl)methyl 3,4-bis(oxidanyl)butanoate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethanamine; (4-methoxyphenyl)methyl 3,4-bis(oxidanyl)butanoate Openeye Name: 2-(3,4-dimethoxyphenyl)ethanamine; (4-methoxyphenyl)methyl 3,4-dihydroxybutanoate CAS Name: 3,4-dihydroxybutanoic acid (4-methoxyphenyl)methyl ester; 2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanamine; (4-methoxyphenyl)methyl 3,4-dihydroxybutanoate Traditional Name: 3,4-dihydroxybutyric acid p-anisyl ester; homoveratrylamine Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)CC(CO)O.COC1=C(C=C(C=C1)CCN)OC

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)CC(CO)O.COC1=C(C=C(C=C1)CCN)OC

InChI

InChI=1S/C12H16O5.C10H15NO2/c1-16-11-4-2-9(3-5-11)8-17-12(15)6-10(14)7-13;1-12-9-4-3-8(5-6-11)7-10(9)13-2/h2-5,10,13-14H,6-8H2,1H3;3-4,7H,5-6,11H2,1-2H3