(E)-but-2-enedioic acid; 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (E)-but-2-enedioic acid; 1-[(3,4-dimethoxyphenyl)methyl]-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline Traditional Name: fumaric acid; 8-methoxy-2-methyl-1-veratryl-3,4-dihydro-1H-isoquinoline Formula: C24H29NO7 MolecularWeight: 443.48956

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=CC=C2)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C(=CC=C2)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO3.C4H4O4/c1-21-11-10-15-6-5-7-18(23-3)20(15)16(21)12-14-8-9-17(22-2)19(13-14)24-4;5-3(6)1-2-4(7)8/h5-9,13,16H,10-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+