3-[2-ethoxy-4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-ethoxy-4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]phenyl]propanoic acid Openeye Name: 3-[2-ethoxy-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoic acid CAS Name: 3-[2-ethoxy-4-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]phenyl]propanoic acid IUPAC Name: 3-[2-ethoxy-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoic acid Traditional Name: 3-[2-ethoxy-4-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]phenyl]propionic acid Formula: C27H36O7 MolecularWeight: 472.57054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OCCCCOC2=C(C(=C(C=C2)C(=O)CC(C)C)O)C)CCC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)OCCCCOC2=C(C(=C(C=C2)C(=O)CC(C)C)O)C)CCC(=O)O

InChI

InChI=1S/C27H36O7/c1-5-32-25-17-21(10-8-20(25)9-13-26(29)30)33-14-6-7-15-34-24-12-11-22(27(31)19(24)4)23(28)16-18(2)3/h8,10-12,17-18,31H,5-7,9,13-16H2,1-4H3,(H,29,30)