1-nonan-4-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-nonan-4-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-oxo-1-(1-propylhexyl)quinoline-3-carboxylic acid CAS Name: 1-nonan-4-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-nonan-4-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 4-keto-1-(1-propylhexyl)quinoline-3-carboxylic acid Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3/c1-3-5-6-10-14(9-4-2)20-13-16(19(22)23)18(21)15-11-7-8-12-17(15)20/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,22,23)