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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)CC(C)C

InChI

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