3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylate IUPAC Name: 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninate Formula: C19H16NO2- MolecularWeight: 290.33584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

InChI

InChI=1S/C19H17NO2/c1-11-4-7-14(8-5-11)18-13(3)17(19(21)22)15-10-12(2)6-9-16(15)20-18/h4-10H,1-3H3,(H,21,22)/p-1