1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2-hydroxy-2-phenyl-acetic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2-hydroxy-2-phenylacetic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2-hydroxy-2-phenylacetic acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; madelic acid Formula: C28H29NO7 MolecularWeight: 491.53236

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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=C(C=C1)C(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4.C8H8O3/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;9-7(8(10)11)6-4-2-1-3-5-6/h5-8,10-12H,9H2,1-4H3;1-5,7,9H,(H,10,11)