6-chloranyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-chloranyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-(4-isobutylphenyl)quinoline-4-carboxylic acid CAS Name: 6-chloro-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-chloro-2-(4-isobutylphenyl)cinchoninic acid Formula: C20H18ClNO2 MolecularWeight: 339.81542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O

InChI

InChI=1S/C20H18ClNO2/c1-12(2)9-13-3-5-14(6-4-13)19-11-17(20(23)24)16-10-15(21)7-8-18(16)22-19/h3-8,10-12H,9H2,1-2H3,(H,23,24)