2-(4-bromophenyl)-8-(hydroxymethyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-8-(hydroxymethyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-bromophenyl)-6-methyl-8-methylol-cinchoninic acid Formula: C18H14BrNO3 MolecularWeight: 372.21266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO3/c1-10-6-12(9-21)17-14(7-10)15(18(22)23)8-16(20-17)11-2-4-13(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)