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

Systemtic Name: 6-bromanyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-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=C(C=C3)Br)C(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)C

InChI

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