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

Systemtic Name: 3-[4-[(3R)-3-(4-chloranyl-2-phenoxy-phenoxy)butoxy]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxy-phenoxy)butoxy]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxyphenoxy)butoxy]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxyphenoxy)butoxy]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxy-phenoxy)butoxy]-3-methyl-phenyl]propionic acid Formula: C26H27ClO5 MolecularWeight: 454.94258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)OCCC(C)OC2=C(C=C(C=C2)Cl)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)OCC[C@@H](C)OC2=C(C=C(C=C2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C26H27ClO5/c1-18-16-20(9-13-26(28)29)8-11-23(18)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1