3-butyl-5-oxidanyl-isoquinoline-1-carboxylate

Systemtic Name: 3-butyl-5-oxidanyl-isoquinoline-1-carboxylate Openeye Name: 3-butyl-5-hydroxy-isoquinoline-1-carboxylate CAS Name: 3-butyl-5-hydroxy-1-isoquinolinecarboxylate IUPAC Name: 3-butyl-5-hydroxyisoquinoline-1-carboxylate Traditional Name: 3-butyl-5-hydroxy-isoquinoline-1-carboxylate Formula: C14H14NO3- MolecularWeight: 244.26586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C2C=CC=C(C2=C1)O)C(=O)[O-]

Isomeric SMILES

CCCCC1=NC(=C2C=CC=C(C2=C1)O)C(=O)[O-]

InChI

InChI=1S/C14H15NO3/c1-2-3-5-9-8-11-10(6-4-7-12(11)16)13(15-9)14(17)18/h4,6-8,16H,2-3,5H2,1H3,(H,17,18)/p-1