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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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