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

Systemtic Name: 8-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Openeye Name: 2-(4-isobutylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 8-methyl-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxylate IUPAC Name: 8-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutylphenyl)-8-methyl-cinchoninate Formula: C21H20NO2- MolecularWeight: 318.389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H21NO2/c1-13(2)11-15-7-9-16(10-8-15)19-12-18(21(23)24)17-6-4-5-14(3)20(17)22-19/h4-10,12-13H,11H2,1-3H3,(H,23,24)/p-1