6-(carboxymethyloxy)-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6-(carboxymethyloxy)-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-(carboxymethyloxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 6-(carboxymethyloxy)-7-methoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-(carboxymethyloxy)-7-methoxy-1-(3-propan-2-yloxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-(carboxymethyloxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C23H21NO8 MolecularWeight: 439.41474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCC(=O)O)C(=O)O

InChI

InChI=1S/C23H21NO8/c1-12(2)32-14-6-4-5-13(7-14)22(27)21-16-9-18(30-3)19(31-11-20(25)26)8-15(16)17(10-24-21)23(28)29/h4-10,12H,11H2,1-3H3,(H,25,26)(H,28,29)