1-[3-(2-hydroxyethyloxy)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-[3-(2-hydroxyethyloxy)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-(2-hydroxyethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[[3-(2-hydroxyethoxy)phenyl]-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-[3-(2-hydroxyethoxy)benzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-[3-(2-hydroxyethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-27-17-9-14-15(10-18(17)28-2)19(22-11-16(14)21(25)26)20(24)12-4-3-5-13(8-12)29-7-6-23/h3-5,8-11,23H,6-7H2,1-2H3,(H,25,26)