5-oxidanyl-3-propyl-isoquinoline-1-carboxylic acid

Systemtic Name: 5-oxidanyl-3-propyl-isoquinoline-1-carboxylic acid Openeye Name: 5-hydroxy-3-propyl-isoquinoline-1-carboxylic acid CAS Name: 5-hydroxy-3-propyl-1-isoquinolinecarboxylic acid IUPAC Name: 5-hydroxy-3-propylisoquinoline-1-carboxylic acid Traditional Name: 5-hydroxy-3-propyl-isoquinoline-1-carboxylic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C2C=CC=C(C2=C1)O)C(=O)O

Isomeric SMILES

CCCC1=NC(=C2C=CC=C(C2=C1)O)C(=O)O

InChI

InChI=1S/C13H13NO3/c1-2-4-8-7-10-9(5-3-6-11(10)15)12(14-8)13(16)17/h3,5-7,15H,2,4H2,1H3,(H,16,17)