8-chloranyl-1-methyl-4-oxidanylidene-5-(6-phenylhexyl)quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-methyl-4-oxidanylidene-5-(6-phenylhexyl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-methyl-4-oxo-5-(6-phenylhexyl)quinoline-3-carboxylic acid CAS Name: 8-chloro-1-methyl-4-oxo-5-(6-phenylhexyl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-methyl-4-oxo-5-(6-phenylhexyl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-4-keto-1-methyl-5-(6-phenylhexyl)quinoline-3-carboxylic acid Formula: C23H24ClNO3 MolecularWeight: 397.89456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C(C=CC(=C21)Cl)CCCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C(C=CC(=C21)Cl)CCCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H24ClNO3/c1-25-15-18(23(27)28)22(26)20-17(13-14-19(24)21(20)25)12-8-3-2-5-9-16-10-6-4-7-11-16/h4,6-7,10-11,13-15H,2-3,5,8-9,12H2,1H3,(H,27,28)