[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (1R)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (1R)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] (1R)-cyclohex-3-ene-1-carboxylate CAS Name: (1R)-1-cyclohex-3-enecarboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate Traditional Name: (1R)-cyclohex-3-ene-1-carboxylic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C1C[C@H](CC=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3/c23-7-4-8-24(20(25)15-27-21(26)19-5-2-1-3-6-19)22-12-16-9-17(13-22)11-18(10-16)14-22/h1-2,16-19H,3-6,8-15H2/t16?,17?,18?,19-,22?/m0/s1