tert-butyl N-[2-(2-cyanocyclopentyl)-1-(3-oxidanyl-1-adamantyl)-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(2-cyanocyclopentyl)-1-(3-oxidanyl-1-adamantyl)-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-cyanocyclopentyl)-1-(3-hydroxy-1-adamantyl)-2-oxo-ethyl]carbamate CAS Name: N-[2-(2-cyanocyclopentyl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-cyanocyclopentyl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate Traditional Name: N-[2-(2-cyanocyclopentyl)-1-(3-hydroxy-1-adamantyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)C1CCCC1C#N)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)C1CCCC1C#N)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C23H34N2O4/c1-21(2,3)29-20(27)25-19(18(26)17-6-4-5-16(17)12-24)22-8-14-7-15(9-22)11-23(28,10-14)13-22/h14-17,19,28H,4-11,13H2,1-3H3,(H,25,27)