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

Systemtic Name: 3-[2-methyl-4-[3-[2-(phenylcarbonyl)phenoxy]butoxy]phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-benzoylphenoxy)butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(2-benzoylphenoxy)butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-benzoylphenoxy)butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(2-benzoylphenoxy)butoxy]-2-methyl-phenyl]propionic acid Formula: C27H28O5 MolecularWeight: 432.50822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C)OC2=CC=CC=C2C(=O)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(C)OC2=CC=CC=C2C(=O)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C27H28O5/c1-19-18-23(14-12-21(19)13-15-26(28)29)31-17-16-20(2)32-25-11-7-6-10-24(25)27(30)22-8-4-3-5-9-22/h3-12,14,18,20H,13,15-17H2,1-2H3,(H,28,29)