2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C14H15NO3/c1-9(2)7-15-8-12(14(17)18)10-5-3-4-6-11(10)13(15)16/h3-6,8-9H,7H2,1-2H3,(H,17,18)