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

Systemtic Name: 6-bromanyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(3-isobutoxyphenyl)cinchoninic acid Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C20H18BrNO3/c1-12(2)11-25-15-5-3-4-13(8-15)19-10-17(20(23)24)16-9-14(21)6-7-18(16)22-19/h3-10,12H,11H2,1-2H3,(H,23,24)