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

Systemtic Name: 3-[4-[(3R)-3-(4-chloranyl-2-phenoxy-phenoxy)butoxy]-2-ethyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxy-phenoxy)butoxy]-2-ethyl-phenyl]propanoic acid CAS Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxyphenoxy)butoxy]-2-ethylphenyl]propanoic acid IUPAC Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxyphenoxy)butoxy]-2-ethylphenyl]propanoic acid Traditional Name: 3-[4-[(3R)-3-(4-chloro-2-phenoxy-phenoxy)butoxy]-2-ethyl-phenyl]propionic acid Formula: C27H29ClO5 MolecularWeight: 468.96916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCC(C)OC2=C(C=C(C=C2)Cl)OC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OCC[C@@H](C)OC2=C(C=C(C=C2)Cl)OC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C27H29ClO5/c1-3-20-17-24(12-9-21(20)10-14-27(29)30)31-16-15-19(2)32-25-13-11-22(28)18-26(25)33-23-7-5-4-6-8-23/h4-9,11-13,17-19H,3,10,14-16H2,1-2H3,(H,29,30)/t19-/m1/s1