6,8-dimethyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6,8-dimethyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-(4-isobutylphenyl)-6,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 6,8-dimethyl-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6,8-dimethyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-(4-isobutylphenyl)-6,8-dimethyl-cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)CC(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)CC(C)C)C(=O)O)C

InChI

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