3-[4-[(3R)-3-(4-chloranyl-2-pyridin-2-yl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[(3R)-3-(4-chloranyl-2-pyridin-2-yl-phenoxy)butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3R)-3-[4-chloro-2-(2-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[(3R)-3-[4-chloro-2-(2-pyridinyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(3R)-3-(4-chloro-2-pyridin-2-ylphenoxy)butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[(3R)-3-[4-chloro-2-(2-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]propionic acid Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C)OC2=C(C=C(C=C2)Cl)C3=CC=CC=N3)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC[C@@H](C)OC2=C(C=C(C=C2)Cl)C3=CC=CC=N3)CCC(=O)O

InChI

InChI=1S/C25H26ClNO4/c1-17-15-21(9-6-19(17)7-11-25(28)29)30-14-12-18(2)31-24-10-8-20(26)16-22(24)23-5-3-4-13-27-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,28,29)/t18-/m1/s1