2-(4-butylphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butylphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butylphenyl)-7-chloro-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-butylphenyl)-7-chloro-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butylphenyl)-7-chloro-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-butylphenyl)-7-chloro-8-methyl-cinchoninic acid Formula: C21H20ClNO2 MolecularWeight: 353.842

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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)