(4-bromophenyl) 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (4-bromophenyl) 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (4-bromophenyl) 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-phenyl-4-quinolinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 3,6,8-trimethyl-2-phenyl-cinchoninic acid (4-bromophenyl) ester Formula: C25H20BrNO2 MolecularWeight: 446.3358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=CC=C3)C)C(=O)OC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C25H20BrNO2/c1-15-13-16(2)23-21(14-15)22(25(28)29-20-11-9-19(26)10-12-20)17(3)24(27-23)18-7-5-4-6-8-18/h4-14H,1-3H3