2-(4-hexylphenyl)quinoline-4-carboxylate

Systemtic Name: 2-(4-hexylphenyl)quinoline-4-carboxylate Openeye Name: 2-(4-hexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-hexylphenyl)-4-quinolinecarboxylate IUPAC Name: 2-(4-hexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-hexylphenyl)cinchoninate Formula: C22H22NO2- MolecularWeight: 332.41558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C22H23NO2/c1-2-3-4-5-8-16-11-13-17(14-12-16)21-15-19(22(24)25)18-9-6-7-10-20(18)23-21/h6-7,9-15H,2-5,8H2,1H3,(H,24,25)/p-1