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

Systemtic Name: 1-nonan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1-methyloctyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-nonan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-nonan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 4-keto-1-(1-methyloctyl)quinoline-3-carboxylic acid Formula: C19H25NO3 MolecularWeight: 315.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3/c1-3-4-5-6-7-10-14(2)20-13-16(19(22)23)18(21)15-11-8-9-12-17(15)20/h8-9,11-14H,3-7,10H2,1-2H3,(H,22,23)