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

Systemtic Name: 4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-4-[[(3-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=C3)Br

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNCC3=CC(=CC=C3)Br

InChI

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