8-bromanyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 8-bromanyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Openeye Name: 8-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid CAS Name: 8-bromo-2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Traditional Name: 8-bromo-2-(2,4-dimethylphenyl)cinchoninic acid Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(C=CC=C3Br)C(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(C=CC=C3Br)C(=C2)C(=O)O)C

InChI

InChI=1S/C18H14BrNO2/c1-10-6-7-12(11(2)8-10)16-9-14(18(21)22)13-4-3-5-15(19)17(13)20-16/h3-9H,1-2H3,(H,21,22)