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

Systemtic Name: methyl 3-[4-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butoxy]phenyl]propanoate Openeye Name: methyl 3-[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoate CAS Name: 3-[4-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butoxy]phenyl]propanoate Traditional Name: 3-[4-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butoxy]phenyl]propionic acid methyl ester Formula: C26H34O6 MolecularWeight: 442.54456

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O6/c1-18(2)17-23(27)22-12-13-24(19(3)26(22)29)32-16-6-5-15-31-21-10-7-20(8-11-21)9-14-25(28)30-4/h7-8,10-13,18,29H,5-6,9,14-17H2,1-4H3