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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C=C(C(=O)C2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCC(C)N1C=C(C(=O)C2=CC=CC=C21)C(=O)O

InChI

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