1-[3-(carboxymethyloxy)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-[3-(carboxymethyloxy)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-(carboxymethyloxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[[3-(carboxymethyloxy)phenyl]-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-[3-(carboxymethyloxy)benzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-[3-(carboxymethyloxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C21H17NO8 MolecularWeight: 411.36158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC(=O)O)C(=O)O)OC

InChI

InChI=1S/C21H17NO8/c1-28-16-7-13-14(8-17(16)29-2)19(22-9-15(13)21(26)27)20(25)11-4-3-5-12(6-11)30-10-18(23)24/h3-9H,10H2,1-2H3,(H,23,24)(H,26,27)