O1-(1-adamantyl) O5-tert-butyl 4-(2-cyano-2-methyl-propyl)-2-ethyl-2,4-dimethyl-pentanedioate

Systemtic Name: O1-(1-adamantyl) O5-tert-butyl 4-(2-cyano-2-methyl-propyl)-2-ethyl-2,4-dimethyl-pentanedioate Openeye Name: O1-(1-adamantyl) O5-tert-butyl 4-(2-cyano-2-methyl-propyl)-2-ethyl-2,4-dimethyl-pentanedioate CAS Name: 4-(2-cyano-2-methylpropyl)-2-ethyl-2,4-dimethylpentanedioic acid O1-(1-adamantyl) ester O5-tert-butyl ester IUPAC Name: 1-O-(1-adamantyl) 5-O-tert-butyl 4-(2-cyano-2-methylpropyl)-2-ethyl-2,4-dimethylpentanedioate Traditional Name: 4-(2-cyano-2-methyl-propyl)-2-ethyl-2,4-dimethyl-glutaric acid O1-(1-adamantyl) ester O5-tert-butyl ester Formula: C28H45NO4 MolecularWeight: 459.6612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(C)C#N)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C#N)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C28H45NO4/c1-9-26(7,17-27(8,16-25(5,6)18-29)23(31)32-24(2,3)4)22(30)33-28-13-19-10-20(14-28)12-21(11-19)15-28/h19-21H,9-17H2,1-8H3