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

Systemtic Name: 6-(2-ethoxyethoxy)-1-(3-ethoxyphenyl)carbonyl-7-methoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(3-ethoxybenzoyl)-6-(2-ethoxyethoxy)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 6-(2-ethoxyethoxy)-1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3-ethoxybenzoyl)-6-(2-ethoxyethoxy)-7-methoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(3-ethoxybenzoyl)-6-(2-ethoxyethoxy)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C24H25NO7 MolecularWeight: 439.4578

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC)C(=O)O)OC

Isomeric SMILES

CCOCCOC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC)C(=O)O)OC

InChI

InChI=1S/C24H25NO7/c1-4-30-9-10-32-21-12-17-18(13-20(21)29-3)22(25-14-19(17)24(27)28)23(26)15-7-6-8-16(11-15)31-5-2/h6-8,11-14H,4-5,9-10H2,1-3H3,(H,27,28)