methyl 3-[2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-cyclohexyl]propanoate

Systemtic Name: methyl 3-[2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-cyclohexyl]propanoate Openeye Name: methyl 3-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cyclohexyl]propanoate CAS Name: 3-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexyl]propanoate Traditional Name: 3-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cyclohexyl]propionic acid methyl ester Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCC(=O)OC)O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCC(=O)OC)O)O

InChI

InChI=1S/C25H40O4/c1-5-6-7-8-15-25(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-9-18(22)10-14-24(28)29-4/h11,13,16,18,20,22,26-27H,5-10,12,14-15,17H2,1-4H3