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

Systemtic Name: 8-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: 2-(4-isobutoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 8-methyl-2-[4-(2-methylpropoxy)phenyl]-4-quinolinecarboxylate IUPAC Name: 8-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: 2-(4-isobutoxyphenyl)-8-methyl-cinchoninate Formula: C21H20NO3- MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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