6-bromanyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(4-isopropylphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-p-cumenyl-cinchoninic acid Formula: C19H16BrNO2 MolecularWeight: 370.23984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrNO2/c1-11(2)12-3-5-13(6-4-12)18-10-16(19(22)23)15-9-14(20)7-8-17(15)21-18/h3-11H,1-2H3,(H,22,23)