4-[[(2-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 4-[[(2-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[(2-bromophenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(2-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-[[(2-bromophenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[[(2-bromobenzyl)amino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C22H23BrN2O2 MolecularWeight: 427.33422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC3=CC=CC=C3Br

InChI

InChI=1S/C22H23BrN2O2/c1-15-19(13-24-12-18-10-6-7-11-20(18)23)21(22(26)27)16(2)25(15)14-17-8-4-3-5-9-17/h3-11,24H,12-14H2,1-2H3,(H,26,27)