7-chloranyl-8-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 7-chloranyl-8-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 7-chloro-2-(4-isobutoxyphenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 7-chloro-8-methyl-2-[4-(2-methylpropoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 7-chloro-8-methyl-2-[4-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 7-chloro-2-(4-isobutoxyphenyl)-8-methyl-cinchoninic acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)OCC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CC=C(C=C3)OCC(C)C)Cl

InChI

InChI=1S/C21H20ClNO3/c1-12(2)11-26-15-6-4-14(5-7-15)19-10-17(21(24)25)16-8-9-18(22)13(3)20(16)23-19/h4-10,12H,11H2,1-3H3,(H,24,25)