6,8-dimethyl-2-(4-propylphenyl)quinoline-4-carboxylate

Systemtic Name: 6,8-dimethyl-2-(4-propylphenyl)quinoline-4-carboxylate Openeye Name: 6,8-dimethyl-2-(4-propylphenyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-(4-propylphenyl)-4-quinolinecarboxylate IUPAC Name: 6,8-dimethyl-2-(4-propylphenyl)quinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(4-propylphenyl)cinchoninate Formula: C21H20NO2- MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)[O-])C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)[O-])C)C

InChI

InChI=1S/C21H21NO2/c1-4-5-15-6-8-16(9-7-15)19-12-18(21(23)24)17-11-13(2)10-14(3)20(17)22-19/h6-12H,4-5H2,1-3H3,(H,23,24)/p-1