6-methoxy-1-[(3-methoxyphenyl)methyl]-7-phenylmethoxy-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-methoxy-1-[(3-methoxyphenyl)methyl]-7-phenylmethoxy-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-benzyloxy-6-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid CAS Name: 6-methoxy-1-[(3-methoxyphenyl)methyl]-7-phenylmethoxy-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-methoxy-1-[(3-methoxyphenyl)methyl]-7-phenylmethoxy-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-benzoxy-1-m-anisyl-6-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25NO5/c1-30-21-10-6-9-19(13-21)14-23-22-16-25(32-17-18-7-4-3-5-8-18)24(31-2)15-20(22)11-12-27(23)26(28)29/h3-13,15-16,23H,14,17H2,1-2H3,(H,28,29)