(3-bromophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (3-bromophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (3-bromophenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (3-bromobenzyl) ester Formula: C20H18BrNO2 MolecularWeight: 384.26642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H18BrNO2/c1-3-17-13(2)19(16-9-4-5-10-18(16)22-17)20(23)24-12-14-7-6-8-15(21)11-14/h4-11H,3,12H2,1-2H3