O1-(2-methyl-2-adamantyl) O7-(5-oxidanylideneoxolan-3-yl) 4-cyano-6-ethyl-2,2,4,6-tetramethyl-heptanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O7-(5-oxidanylideneoxolan-3-yl) 4-cyano-6-ethyl-2,2,4,6-tetramethyl-heptanedioate Openeye Name: O1-(2-methyl-2-adamantyl) O7-(5-oxotetrahydrofuran-3-yl) 4-cyano-6-ethyl-2,2,4,6-tetramethyl-heptanedioate CAS Name: 4-cyano-6-ethyl-2,2,4,6-tetramethylheptanedioic acid O1-(2-methyl-2-adamantyl) ester O7-(5-oxo-3-oxolanyl) ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 7-O-(5-oxooxolan-3-yl) 4-cyano-6-ethyl-2,2,4,6-tetramethylheptanedioate Traditional Name: 4-cyano-2-ethyl-2,4,6,6-tetramethyl-pimelic acid O1-(5-ketotetrahydrofuran-3-yl) ester O7-(2-methyl-2-adamantyl) ester Formula: C29H43NO6 MolecularWeight: 501.65482

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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#N)C(=O)OC4CC(=O)OC4

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(C)C(=O)OC1(C2CC3CC(C2)CC1C3)C)C#N)C(=O)OC4CC(=O)OC4

InChI

InChI=1S/C29H43NO6/c1-7-28(5,25(33)35-22-13-23(31)34-14-22)16-27(4,17-30)15-26(2,3)24(32)36-29(6)20-9-18-8-19(11-20)12-21(29)10-18/h18-22H,7-16H2,1-6H3