2-(4-butylphenyl)quinoline-4-carboxylate

Systemtic Name: 2-(4-butylphenyl)quinoline-4-carboxylate Openeye Name: 2-(4-butylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-4-quinolinecarboxylate IUPAC Name: 2-(4-butylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)cinchoninate Formula: C20H18NO2- MolecularWeight: 304.36242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C20H19NO2/c1-2-3-6-14-9-11-15(12-10-14)19-13-17(20(22)23)16-7-4-5-8-18(16)21-19/h4-5,7-13H,2-3,6H2,1H3,(H,22,23)/p-1