6-butoxy-4-oxidanyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-butoxy-4-oxidanyl-isoquinoline-3-carboxylic acid Openeye Name: 6-butoxy-4-hydroxy-isoquinoline-3-carboxylic acid CAS Name: 6-butoxy-4-hydroxy-3-isoquinolinecarboxylic acid IUPAC Name: 6-butoxy-4-hydroxyisoquinoline-3-carboxylic acid Traditional Name: 6-butoxy-4-hydroxy-isoquinoline-3-carboxylic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C(=NC=C2C=C1)C(=O)O)O

Isomeric SMILES

CCCCOC1=CC2=C(C(=NC=C2C=C1)C(=O)O)O

InChI

InChI=1S/C14H15NO4/c1-2-3-6-19-10-5-4-9-8-15-12(14(17)18)13(16)11(9)7-10/h4-5,7-8,16H,2-3,6H2,1H3,(H,17,18)