2-(2,5-dimethylphenyl)-3,6-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(2,5-dimethylphenyl)-3,6-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(2,5-dimethylphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-3,6-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(2,5-dimethylphenyl)-3,6-dimethylquinoline-4-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)-3,6-dimethyl-cinchoninate Formula: C20H18NO2- MolecularWeight: 304.36242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO2/c1-11-5-7-13(3)15(9-11)19-14(4)18(20(22)23)16-10-12(2)6-8-17(16)21-19/h5-10H,1-4H3,(H,22,23)/p-1