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

Systemtic Name: methyl 3-[4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]-2-oxidanyl-phenyl]propanoate Openeye Name: methyl 3-[2-hydroxy-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoate CAS Name: 3-[2-hydroxy-4-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-hydroxy-4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoate Traditional Name: 3-[2-hydroxy-4-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]phenyl]propionic acid methyl ester Formula: C26H34O7 MolecularWeight: 458.54396

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C26H34O7/c1-17(2)15-23(28)21-10-11-24(18(3)26(21)30)33-14-6-5-13-32-20-9-7-19(22(27)16-20)8-12-25(29)31-4/h7,9-11,16-17,27,30H,5-6,8,12-15H2,1-4H3