2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(4-ethoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-3,6-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(4-ethoxyphenyl)-3,6-dimethylquinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-p-phenetyl-cinchoninate Formula: C20H18NO3- MolecularWeight: 320.36182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

InChI

InChI=1S/C20H19NO3/c1-4-24-15-8-6-14(7-9-15)19-13(3)18(20(22)23)16-11-12(2)5-10-17(16)21-19/h5-11H,4H2,1-3H3,(H,22,23)/p-1