3-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate

Systemtic Name: 3-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: 2-(4-isobutoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-[4-(2-methylpropoxy)phenyl]-4-quinolinecarboxylate IUPAC Name: 3-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutoxyphenyl)-3-methyl-cinchoninate Formula: C21H20NO3- MolecularWeight: 334.3884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OCC(C)C)C(=O)[O-]

InChI

InChI=1S/C21H21NO3/c1-13(2)12-25-16-10-8-15(9-11-16)20-14(3)19(21(23)24)17-6-4-5-7-18(17)22-20/h4-11,13H,12H2,1-3H3,(H,23,24)/p-1