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

Systemtic Name: 7-(2-hydroxyethyloxy)-6-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 7-(2-hydroxyethoxy)-6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid CAS Name: 7-(2-hydroxyethoxy)-6-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 7-(2-hydroxyethoxy)-6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 7-(2-hydroxyethoxy)-1-m-anisoyl-6-methoxy-isoquinoline-4-carboxylic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCCO)OC)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OCCO)OC)C(=O)O

InChI

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