3-[2-[2-(2-tert-butyl-6-methyl-phenoxy)ethoxy]-5-chloranyl-phenyl]propanoic acid

Systemtic Name: 3-[2-[2-(2-tert-butyl-6-methyl-phenoxy)ethoxy]-5-chloranyl-phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-tert-butyl-6-methyl-phenoxy)ethoxy]-5-chloro-phenyl]propanoic acid CAS Name: 3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-5-chlorophenyl]propanoic acid IUPAC Name: 3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-5-chlorophenyl]propanoic acid Traditional Name: 3-[2-[2-(2-tert-butyl-6-methyl-phenoxy)ethoxy]-5-chloro-phenyl]propionic acid Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OCCOC2=C(C=C(C=C2)Cl)CCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OCCOC2=C(C=C(C=C2)Cl)CCC(=O)O

InChI

InChI=1S/C22H27ClO4/c1-15-6-5-7-18(22(2,3)4)21(15)27-13-12-26-19-10-9-17(23)14-16(19)8-11-20(24)25/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,24,25)