1-(3-ethoxyphenyl)carbonyl-6-(2-hydroxyethyloxy)-7-methoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(3-ethoxyphenyl)carbonyl-6-(2-hydroxyethyloxy)-7-methoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(3-ethoxybenzoyl)-6-(2-hydroxyethoxy)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-oxomethyl]-6-(2-hydroxyethoxy)-7-methoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3-ethoxybenzoyl)-6-(2-hydroxyethoxy)-7-methoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(3-ethoxybenzoyl)-6-(2-hydroxyethoxy)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCO)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCO)C(=O)O

InChI

InChI=1S/C22H21NO7/c1-3-29-14-6-4-5-13(9-14)21(25)20-16-11-18(28-2)19(30-8-7-24)10-15(16)17(12-23-20)22(26)27/h4-6,9-12,24H,3,7-8H2,1-2H3,(H,26,27)