methyl 6-bromanyl-2-(4-tert-butylphenyl)quinoline-4-carboxylate

Systemtic Name: methyl 6-bromanyl-2-(4-tert-butylphenyl)quinoline-4-carboxylate Openeye Name: methyl 6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-tert-butylphenyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-tert-butylphenyl)cinchoninic acid methyl ester Formula: C21H20BrNO2 MolecularWeight: 398.293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OC

InChI

InChI=1S/C21H20BrNO2/c1-21(2,3)14-7-5-13(6-8-14)19-12-17(20(24)25-4)16-11-15(22)9-10-18(16)23-19/h5-12H,1-4H3