1-[3-(butanoylamino)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-[3-(butanoylamino)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-(butanoylamino)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-(1-oxobutylamino)phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 1-[3-(butanoylamino)benzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(3-butyramidobenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C23H22N2O6/c1-4-6-20(26)25-14-8-5-7-13(9-14)22(27)21-16-11-19(31-3)18(30-2)10-15(16)17(12-24-21)23(28)29/h5,7-12H,4,6H2,1-3H3,(H,25,26)(H,28,29)