3-[4-[[5-(4-chlorophenyl)-2-methoxy-pyridin-3-yl]methylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[5-(4-chlorophenyl)-2-methoxy-pyridin-3-yl]methylamino]phenyl]propanoic acid Openeye Name: 3-[4-[[5-(4-chlorophenyl)-2-methoxy-3-pyridyl]methylamino]phenyl]propanoic acid CAS Name: 3-[4-[[5-(4-chlorophenyl)-2-methoxy-3-pyridinyl]methylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[[5-(4-chlorophenyl)-2-methoxypyridin-3-yl]methylamino]phenyl]propanoic acid Traditional Name: 3-[4-[[5-(4-chlorophenyl)-2-methoxy-3-pyridyl]methylamino]phenyl]propionic acid Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=N1)C2=CC=C(C=C2)Cl)CNC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=N1)C2=CC=C(C=C2)Cl)CNC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H21ClN2O3/c1-28-22-18(12-17(13-25-22)16-5-7-19(23)8-6-16)14-24-20-9-2-15(3-10-20)4-11-21(26)27/h2-3,5-10,12-13,24H,4,11,14H2,1H3,(H,26,27)