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

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

Systemtic Name:1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; pyridine-3-carboxylic acid
Openeye Name:1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; nicotinic acid
CAS Name:1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 3-pyridinecarboxylic acid
IUPAC Name:1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; pyridine-3-carboxylic acid
Traditional Name:6,7-dimethoxy-1-veratryl-isoquinoline; nicotinic acid
Formula: C26H26N2O6
MolecularWeight: 462.49444
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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=CC(=CN=C1)C(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C20H21NO4.C6H5NO2/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;8-6(9)5-2-1-3-7-4-5/h5-8,10-12H,9H2,1-4H3;1-4H,(H,8,9)


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