1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline; ethanedioic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline; oxalic acid Traditional Name: 6,7-dimethoxy-1-veratryl-3,4-dihydroisoquinoline; oxalic acid Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NO4.C2H2O4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;3-1(4)2(5)6/h5-6,10-12H,7-9H2,1-4H3;(H,3,4)(H,5,6)