O1-(2-methyl-2-adamantyl) O5-(1-methyl-3-oxidanylidene-cyclohexyl) 2-(2-cyano-2-methyl-butyl)-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-(1-methyl-3-oxidanylidene-cyclohexyl) 2-(2-cyano-2-methyl-butyl)-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(2-methyl-2-adamantyl) O5-(1-methyl-3-oxo-cyclohexyl) 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-(1-methyl-3-oxocyclohexyl) ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-(1-methyl-3-oxocyclohexyl) 2-(2-cyano-2-methylbutyl)-2,4,4-trimethylpentanedioate Traditional Name: 4-(2-cyano-2-methyl-butyl)-2,2,4-trimethyl-glutaric acid O1-(3-keto-1-methyl-cyclohexyl) ester O5-(2-methyl-2-adamantyl) ester Formula: C32H49NO5 MolecularWeight: 527.73516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49NO5/c1-8-29(4,20-33)19-30(5,18-28(2,3)26(35)37-31(6)11-9-10-25(34)17-31)27(36)38-32(7)23-13-21-12-22(15-23)16-24(32)14-21/h21-24H,8-19H2,1-7H3