2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Openeye Name: 2-(4-isobutylphenyl)quinoline-4-carboxylate CAS Name: 2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxylate IUPAC Name: 2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutylphenyl)cinchoninate Formula: C20H18NO2- MolecularWeight: 304.36242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C20H19NO2/c1-13(2)11-14-7-9-15(10-8-14)19-12-17(20(22)23)16-5-3-4-6-18(16)21-19/h3-10,12-13H,11H2,1-2H3,(H,22,23)/p-1