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

Systemtic Name: 3,6-dimethyl-2-(4-propylphenyl)quinoline-4-carboxylate Openeye Name: 3,6-dimethyl-2-(4-propylphenyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-propylphenyl)-4-quinolinecarboxylate IUPAC Name: 3,6-dimethyl-2-(4-propylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-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=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

InChI

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