[(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1S)-1-(2-cyanoethyl)-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: [(1R,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (1S)-1-(2-cyanoethyl)-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (1S)-1-(2-cyanoethyl)-2-oxo-cyclopentanecarboxylate CAS Name: (1S)-1-(2-cyanoethyl)-2-oxo-1-cyclopentanecarboxylic acid [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (1S)-1-(2-cyanoethyl)-2-oxocyclopentane-1-carboxylate Traditional Name: (1S)-1-(2-cyanoethyl)-2-keto-cyclopentanecarboxylic acid [(1R,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(CCCC2=O)CCC#N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)[C@@]2(CCCC2=O)CCC#N)C(C)C

InChI

InChI=1S/C19H29NO3/c1-13(2)15-8-7-14(3)12-16(15)23-18(22)19(10-5-11-20)9-4-6-17(19)21/h13-16H,4-10,12H2,1-3H3/t14-,15+,16+,19-/m0/s1