3-hexyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-hexyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-hexyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-hexyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-hexyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-hexyl-2-phenyl-cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23NO2/c1-2-3-4-8-14-18-20(22(24)25)17-13-9-10-15-19(17)23-21(18)16-11-6-5-7-12-16/h5-7,9-13,15H,2-4,8,14H2,1H3,(H,24,25)