5-[(4-bromophenyl)-(dimethylamino)methyl]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-[(4-bromophenyl)-(dimethylamino)methyl]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-(dimethylamino)methyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[(4-bromophenyl)-(dimethylamino)methyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-[(4-bromophenyl)-(dimethylamino)methyl]-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(dimethylamino)methyl]-1-methyl-pyrrole-2-carboxylic acid Formula: C15H17BrN2O2 MolecularWeight: 337.21168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(=O)O)C(C2=CC=C(C=C2)Br)N(C)C

Isomeric SMILES

CN1C(=CC=C1C(=O)O)C(C2=CC=C(C=C2)Br)N(C)C

InChI

InChI=1S/C15H17BrN2O2/c1-17(2)14(10-4-6-11(16)7-5-10)12-8-9-13(15(19)20)18(12)3/h4-9,14H,1-3H3,(H,19,20)