8-ethyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CCC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)CC(C)C

InChI

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