O1-(2-methyl-2-adamantyl) O5-(4-methyl-2-oxidanylidene-oxan-4-yl) 2-(2-cyano-2-methyl-butyl)-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-(4-methyl-2-oxidanylidene-oxan-4-yl) 2-(2-cyano-2-methyl-butyl)-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(2-methyl-2-adamantyl) O5-(4-methyl-2-oxo-tetrahydropyran-4-yl) 2-(2-cyano-2-methyl-butyl)-2,4,4-trimethyl-pentanedioate CAS Name: 2-(2-cyano-2-methylbutyl)-2,4,4-trimethylpentanedioic acid O1-(2-methyl-2-adamantyl) ester O5-(4-methyl-2-oxo-4-oxanyl) ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-(4-methyl-2-oxooxan-4-yl) 2-(2-cyano-2-methylbutyl)-2,4,4-trimethylpentanedioate Traditional Name: 4-(2-cyano-2-methyl-butyl)-2,2,4-trimethyl-glutaric acid O1-(2-keto-4-methyl-tetrahydropyran-4-yl) ester O5-(2-methyl-2-adamantyl) ester Formula: C31H47NO6 MolecularWeight: 529.70798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C(=O)OC1(CCOC(=O)C1)C)C(=O)OC2(C3CC4CC(C3)CC2C4)C)C#N

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)OC1(CCOC(=O)C1)C)C(=O)OC2(C3CC4CC(C3)CC2C4)C)C#N

InChI

InChI=1S/C31H47NO6/c1-8-28(4,19-32)18-29(5,17-27(2,3)25(34)37-30(6)9-10-36-24(33)16-30)26(35)38-31(7)22-12-20-11-21(14-22)15-23(31)13-20/h20-23H,8-18H2,1-7H3