2-(4-butylphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-butylphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(4-butylphenyl)-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butylphenyl)-7-chloro-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(4-butylphenyl)-7-chloro-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-butylphenyl)-7-chloro-8-methyl-cinchoninate Formula: C21H19ClNO2- MolecularWeight: 352.83406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)[O-]

InChI

InChI=1S/C21H20ClNO2/c1-3-4-5-14-6-8-15(9-7-14)19-12-17(21(24)25)16-10-11-18(22)13(2)20(16)23-19/h6-12H,3-5H2,1-2H3,(H,24,25)/p-1