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

Systemtic Name: 6-(3-acetyloxypropoxy)-1-(3-ethoxyphenyl)carbonyl-7-methoxy-isoquinoline-4-carboxylic acid Openeye Name: 6-(3-acetoxypropoxy)-1-(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-4-isoquinolinecarboxylic acid IUPAC Name: 6-(3-acetyloxypropoxy)-1-(3-ethoxybenzoyl)-7-methoxyisoquinoline-4-carboxylic acid Traditional Name: 6-(3-acetoxypropoxy)-1-(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C25H25NO8 MolecularWeight: 467.4679

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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)OCCCOC(=O)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO8/c1-4-32-17-8-5-7-16(11-17)24(28)23-19-13-21(31-3)22(34-10-6-9-33-15(2)27)12-18(19)20(14-26-23)25(29)30/h5,7-8,11-14H,4,6,9-10H2,1-3H3,(H,29,30)