3-[4-[2-(5-chloranyl-6-propan-2-yloxy-pyridin-3-yl)-1,3-oxazol-4-yl]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(5-chloranyl-6-propan-2-yloxy-pyridin-3-yl)-1,3-oxazol-4-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[2-(5-chloro-6-isopropoxy-3-pyridyl)oxazol-4-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[2-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-4-oxazolyl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[2-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,3-oxazol-4-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[2-(5-chloro-6-isopropoxy-3-pyridyl)oxazol-4-yl]-3-methyl-phenyl]propionic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)C2=COC(=N2)C3=CC(=C(N=C3)OC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)C2=COC(=N2)C3=CC(=C(N=C3)OC(C)C)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-12(2)28-21-17(22)9-15(10-23-21)20-24-18(11-27-20)16-6-4-14(8-13(16)3)5-7-19(25)26/h4,6,8-12H,5,7H2,1-3H3,(H,25,26)