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

Systemtic Name: 3-[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Openeye Name: 3-[(4-chlorophenyl)methyl-(4-pyridylmethyl)amino]propanoic acid CAS Name: 3-[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid IUPAC Name: 3-[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Traditional Name: 3-[(4-chlorobenzyl)-(4-pyridylmethyl)amino]propionic acid Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCC(=O)O)CC2=CC=NC=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CN(CCC(=O)O)CC2=CC=NC=C2)Cl

InChI

InChI=1S/C16H17ClN2O2/c17-15-3-1-13(2-4-15)11-19(10-7-16(20)21)12-14-5-8-18-9-6-14/h1-6,8-9H,7,10-12H2,(H,20,21)