3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl-(4-pyridylmethyl)amino]propanoic acid CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)-(4-pyridylmethyl)amino]propionic acid Formula: C16H16ClFN2O2 MolecularWeight: 322.761843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN(CCC(=O)O)CC2=CC=NC=C2)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN(CCC(=O)O)CC2=CC=NC=C2)F

InChI

InChI=1S/C16H16ClFN2O2/c17-14-2-1-3-15(18)13(14)11-20(9-6-16(21)22)10-12-4-7-19-8-5-12/h1-5,7-8H,6,9-11H2,(H,21,22)