3-[3-chloranyl-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]propanoic acid

Systemtic Name: 3-[3-chloranyl-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]propanoic acid Openeye Name: 3-[3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxy-phenyl]propanoic acid CAS Name: 3-[3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]propanoic acid IUPAC Name: 3-[3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]propanoic acid Traditional Name: 3-[3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]-5-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)Cl)OCCOC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CCC(=O)O)Cl)OCCOC2=C(C=CC=C2C)C

InChI

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