2-butyl-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 2-butyl-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 2-butyl-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 2-butyl-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 2-butyl-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 2-butyl-1-keto-isoquinoline-4-carboxylic acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=CC=CC=C2C1=O)C(=O)O

InChI

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