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

Systemtic Name: 4-methanoyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-6-phenylmethoxy-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-benzyloxy-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid CAS Name: 4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-6-phenylmethoxy-1H-isoquinoline-2-carboxylic acid IUPAC Name: 4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-6-phenylmethoxy-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-benzoxy-4-formyl-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO6/c1-32-21-10-6-9-19(11-21)12-24-23-14-25(33-2)26(34-17-18-7-4-3-5-8-18)13-22(23)20(16-29)15-28(24)27(30)31/h3-11,13-16,24H,12,17H2,1-2H3,(H,30,31)