3,6-dimethyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate

Systemtic Name: 3,6-dimethyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: 2-(4-isobutoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-[4-(2-methylpropoxy)phenyl]-4-quinolinecarboxylate IUPAC Name: 3,6-dimethyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutoxyphenyl)-3,6-dimethyl-cinchoninate Formula: C22H22NO3- MolecularWeight: 348.41498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-13(2)12-26-17-8-6-16(7-9-17)21-15(4)20(22(24)25)18-11-14(3)5-10-19(18)23-21/h5-11,13H,12H2,1-4H3,(H,24,25)/p-1