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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2,2-diphenylethanoic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 2,2-diphenylacetic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2,2-diphenylacetic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 2,2-diphenylacetic acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline; 2,2-diphenylacetic acid Formula: C34H33NO6 MolecularWeight: 551.62892

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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(C2=CC=CC=C2)C(=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(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H21NO4.C14H12O2/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;15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h5-8,10-12H,9H2,1-4H3;1-10,13H,(H,15,16)