2-heptan-2-yl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 2-heptan-2-yl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 2-(1-methylhexyl)-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 2-heptan-2-yl-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 2-heptan-2-yl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-2-(1-methylhexyl)-1H-quinoline-3-carboxylic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=C(C(=O)C2=CC=CC=C2N1)C(=O)O

Isomeric SMILES

CCCCCC(C)C1=C(C(=O)C2=CC=CC=C2N1)C(=O)O

InChI

InChI=1S/C17H21NO3/c1-3-4-5-8-11(2)15-14(17(20)21)16(19)12-9-6-7-10-13(12)18-15/h6-7,9-11H,3-5,8H2,1-2H3,(H,18,19)(H,20,21)