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

Systemtic Name: 2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid CAS Name: 2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-(3-isobutoxyphenyl)cinchoninic acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C20H19NO3/c1-13(2)12-24-15-7-5-6-14(10-15)19-11-17(20(22)23)16-8-3-4-9-18(16)21-19/h3-11,13H,12H2,1-2H3,(H,22,23)