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

Systemtic Name: 6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Openeye Name: 2-(4-isobutylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxylate IUPAC Name: 6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutylphenyl)-6-methyl-cinchoninate Formula: C21H20NO2- MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)CC(C)C

InChI

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