1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; thiophene-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; thiophene-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; thiophene-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2-thiophenecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; thiophene-2-carboxylic acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; 2-thenoic acid Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=CSC(=C1)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.C1=CSC(=C1)C(=O)O

InChI

InChI=1S/C20H21NO4.C5H4O2S/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;6-5(7)4-2-1-3-8-4/h5-8,10-12H,9H2,1-4H3;1-3H,(H,6,7)