6-bromanyl-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-bromo-8-ethyl-3-methyl-2-phenyl-cinchoninic acid Formula: C19H16BrNO2 MolecularWeight: 370.23984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)O

InChI

InChI=1S/C19H16BrNO2/c1-3-12-9-14(20)10-15-16(19(22)23)11(2)17(21-18(12)15)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3,(H,22,23)