2-(4-tert-butylphenyl)-5-chloranyl-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-5-chloranyl-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-5-chloro-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-5-chloro-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-5-chloro-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-5-chloro-8-methyl-cinchoninic acid Formula: C21H20ClNO2 MolecularWeight: 353.842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)C(=CC(=N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H20ClNO2/c1-12-5-10-16(22)18-15(20(24)25)11-17(23-19(12)18)13-6-8-14(9-7-13)21(2,3)4/h5-11H,1-4H3,(H,24,25)