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

Systemtic Name: 1-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1-ethylhexyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(1-ethylhexyl)-4-keto-quinoline-3-carboxylic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-3-5-6-9-13(4-2)19-12-15(18(21)22)17(20)14-10-7-8-11-16(14)19/h7-8,10-13H,3-6,9H2,1-2H3,(H,21,22)