2-azanyl-3-[3-[[2,6-bis(chloranyl)phenyl]methoxy]-2-pyridin-3-ylcarbonyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[[2,6-bis(chloranyl)phenyl]methoxy]-2-pyridin-3-ylcarbonyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]-2-(pyridine-3-carbonyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]-2-[oxo(3-pyridinyl)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]-2-(pyridine-3-carbonyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(2,6-dichlorobenzyl)oxy-2-nicotinoyl-phenyl]propionic acid Formula: C22H18Cl2N2O4 MolecularWeight: 445.29532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCC2=C(C=CC=C2Cl)Cl)C(=O)C3=CN=CC=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1)OCC2=C(C=CC=C2Cl)Cl)C(=O)C3=CN=CC=C3)CC(C(=O)O)N

InChI

InChI=1S/C22H18Cl2N2O4/c23-16-6-2-7-17(24)15(16)12-30-19-8-1-4-13(10-18(25)22(28)29)20(19)21(27)14-5-3-9-26-11-14/h1-9,11,18H,10,12,25H2,(H,28,29)