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

Systemtic Name: 1-[3-(1-hydroxyethyloxy)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-(1-hydroxyethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[[3-(1-hydroxyethoxy)phenyl]-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-[3-(1-hydroxyethoxy)benzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-[3-(1-hydroxyethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-11(23)29-13-6-4-5-12(7-13)20(24)19-15-9-18(28-3)17(27-2)8-14(15)16(10-22-19)21(25)26/h4-11,23H,1-3H3,(H,25,26)