6,8-dimethyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate

Systemtic Name: 6,8-dimethyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Openeye Name: 2-(3-isobutoxyphenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylate IUPAC Name: 6,8-dimethyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylate Traditional Name: 2-(3-isobutoxyphenyl)-6,8-dimethyl-cinchoninate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)OCC(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)OCC(C)C)C(=O)[O-])C

InChI

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