6-methoxy-1-(3-methoxyphenyl)carbonyl-7-phenylmethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 6-methoxy-1-(3-methoxyphenyl)carbonyl-7-phenylmethoxy-isoquinoline-4-carboxylic acid Openeye Name: 7-benzyloxy-6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid CAS Name: 6-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-7-phenylmethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 6-methoxy-1-(3-methoxybenzoyl)-7-phenylmethoxyisoquinoline-4-carboxylic acid Traditional Name: 7-benzoxy-1-m-anisoyl-6-methoxy-isoquinoline-4-carboxylic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)C(=O)O

InChI

InChI=1S/C26H21NO6/c1-31-18-10-6-9-17(11-18)25(28)24-20-13-23(33-15-16-7-4-3-5-8-16)22(32-2)12-19(20)21(14-27-24)26(29)30/h3-14H,15H2,1-2H3,(H,29,30)