3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Openeye Name: 3-[(3-bromophenyl)methyl-(4-pyridylmethyl)amino]propanoic acid CAS Name: 3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid IUPAC Name: 3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Traditional Name: 3-[(3-bromobenzyl)-(4-pyridylmethyl)amino]propionic acid Formula: C16H17BrN2O2 MolecularWeight: 349.22238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN(CCC(=O)O)CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN(CCC(=O)O)CC2=CC=NC=C2

InChI

InChI=1S/C16H17BrN2O2/c17-15-3-1-2-14(10-15)12-19(9-6-16(20)21)11-13-4-7-18-8-5-13/h1-5,7-8,10H,6,9,11-12H2,(H,20,21)