3-[4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethoxy]-3-ethoxy-phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethoxy]-3-ethoxy-phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-chloro-3,5-dimethyl-phenoxy)ethoxy]-3-ethoxy-phenyl]propanoic acid CAS Name: 3-[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]propanoic acid Traditional Name: 3-[4-[2-(4-chloro-3,5-dimethyl-phenoxy)ethoxy]-3-ethoxy-phenyl]propionic acid Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCC(=O)O)OCCOC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCC(=O)O)OCCOC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C21H25ClO5/c1-4-25-19-13-16(6-8-20(23)24)5-7-18(19)27-10-9-26-17-11-14(2)21(22)15(3)12-17/h5,7,11-13H,4,6,8-10H2,1-3H3,(H,23,24)