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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC(=CC=C3)Br)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC(=CC=C3)Br)C)C(=O)O

InChI

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