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

Systemtic Name: 1-(3-ethoxyphenyl)carbonyl-7-methoxy-6-(2-morpholin-4-ylethoxy)isoquinoline-4-carboxylic acid Openeye Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(2-morpholinoethoxy)isoquinoline-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-6-[2-(4-morpholinyl)ethoxy]-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)isoquinoline-4-carboxylic acid Traditional Name: 1-(3-ethoxybenzoyl)-7-methoxy-6-(2-morpholinoethoxy)isoquinoline-4-carboxylic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

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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)OCCN4CCOCC4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCN4CCOCC4)C(=O)O

InChI

InChI=1S/C26H28N2O7/c1-3-34-18-6-4-5-17(13-18)25(29)24-20-15-22(32-2)23(14-19(20)21(16-27-24)26(30)31)35-12-9-28-7-10-33-11-8-28/h4-6,13-16H,3,7-12H2,1-2H3,(H,30,31)