3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-quinoline-4-carboxylic acid Openeye Name: 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-quinoline-4-carboxylic acid CAS Name: 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propylquinoline-4-carboxylic acid Traditional Name: 3-[2-(4-bromophenyl)ethyl]-6-methyl-2-propyl-cinchoninic acid Formula: C22H22BrNO2 MolecularWeight: 412.31958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=C(C=CC2=N1)C)C(=O)O)CCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=C(C(=C2C=C(C=CC2=N1)C)C(=O)O)CCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO2/c1-3-4-19-17(11-8-15-6-9-16(23)10-7-15)21(22(25)26)18-13-14(2)5-12-20(18)24-19/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,25,26)