2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(3-bromophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(3-bromophenyl)-6,8-dimethyl-cinchoninic acid Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)O)C

InChI

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