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

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Openeye Name: 3-[(3,4-dichlorophenyl)methyl-(4-pyridylmethyl)amino]propanoic acid CAS Name: 3-[(3,4-dichlorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Traditional Name: 3-[(3,4-dichlorobenzyl)-(4-pyridylmethyl)amino]propionic acid Formula: C16H16Cl2N2O2 MolecularWeight: 339.21644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O2/c17-14-2-1-13(9-15(14)18)11-20(8-5-16(21)22)10-12-3-6-19-7-4-12/h1-4,6-7,9H,5,8,10-11H2,(H,21,22)