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

Systemtic Name: 3-[4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]phenyl]propanoic acid Openeye Name: 3-[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoic acid CAS Name: 3-[4-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]phenyl]propionic acid Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCOC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C25H32O6/c1-17(2)16-22(26)21-11-12-23(18(3)25(21)29)31-15-5-4-14-30-20-9-6-19(7-10-20)8-13-24(27)28/h6-7,9-12,17,29H,4-5,8,13-16H2,1-3H3,(H,27,28)