6-bromanyl-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-(4-isopropylphenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-p-cumenylvinyl]cinchoninic acid Formula: C21H18BrNO2 MolecularWeight: 396.27712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO2/c1-13(2)15-6-3-14(4-7-15)5-9-17-12-19(21(24)25)18-11-16(22)8-10-20(18)23-17/h3-13H,1-2H3,(H,24,25)/b9-5+