(4-octyl-2-oxidanyl-phenyl) quinoline-4-carboxylate

Systemtic Name: (4-octyl-2-oxidanyl-phenyl) quinoline-4-carboxylate Openeye Name: (2-hydroxy-4-octyl-phenyl) quinoline-4-carboxylate CAS Name: 4-quinolinecarboxylic acid (2-hydroxy-4-octylphenyl) ester IUPAC Name: (2-hydroxy-4-octylphenyl) quinoline-4-carboxylate Traditional Name: cinchoninic acid (2-hydroxy-4-octyl-phenyl) ester Formula: C24H27NO3 MolecularWeight: 377.47608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=NC3=CC=CC=C23)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=NC3=CC=CC=C23)O

InChI

InChI=1S/C24H27NO3/c1-2-3-4-5-6-7-10-18-13-14-23(22(26)17-18)28-24(27)20-15-16-25-21-12-9-8-11-19(20)21/h8-9,11-17,26H,2-7,10H2,1H3