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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 6,7-dimethoxy-1-veratryl-isoquinoline Formula: C26H29NO11 MolecularWeight: 531.50856

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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.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8,10-12H,9H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)