O1-(2-methyl-2-adamantyl) O5-[(2-oxidanylideneoxan-3-yl)methyl] 4-(2-cyano-2-methyl-butyl)-2,2,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-[(2-oxidanylideneoxan-3-yl)methyl] 4-(2-cyano-2-methyl-butyl)-2,2,4-trimethyl-pentanedioate Openeye Name: O1-(2-methyl-2-adamantyl) O5-[(2-oxotetrahydropyran-3-yl)methyl] 4-(2-cyano-2-methyl-butyl)-2,2,4-trimethyl-pentanedioate CAS Name: 4-(2-cyano-2-methylbutyl)-2,2,4-trimethylpentanedioic acid O1-(2-methyl-2-adamantyl) ester O5-[(2-oxo-3-oxanyl)methyl] ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-[(2-oxooxan-3-yl)methyl] 4-(2-cyano-2-methylbutyl)-2,2,4-trimethylpentanedioate Traditional Name: 2-(2-cyano-2-methyl-butyl)-2,4,4-trimethyl-glutaric acid O1-[(2-ketotetrahydropyran-3-yl)methyl] 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(C2CC3CC(C2)CC1C3)C)C(=O)OCC4CCCOC4=O)C#N

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)OC1(C2CC3CC(C2)CC1C3)C)C(=O)OCC4CCCOC4=O)C#N

InChI

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