8-chloranyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 8-chloranyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 8-chloro-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid CAS Name: 8-chloro-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 8-chloro-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 8-chloro-2-(3-isobutoxyphenyl)cinchoninic acid Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)O

InChI

InChI=1S/C20H18ClNO3/c1-12(2)11-25-14-6-3-5-13(9-14)18-10-16(20(23)24)15-7-4-8-17(21)19(15)22-18/h3-10,12H,11H2,1-2H3,(H,23,24)