8-butan-2-yl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 8-butan-2-yl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 4-oxo-8-sec-butyl-1H-quinoline-3-carboxylic acid CAS Name: 8-butan-2-yl-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 8-butan-2-yl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-8-sec-butyl-1H-quinoline-3-carboxylic acid Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC2=C1NC=C(C2=O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC2=C1NC=C(C2=O)C(=O)O

InChI

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