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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC(=O)C2=CC=CC=C2N1C(=O)O

Isomeric SMILES

CCCCCC(C)C1=CC(=O)C2=CC=CC=C2N1C(=O)O

InChI

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