[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7S)-3-chloro-1-adamantanecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (5S,7S)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7S)-3-chloroadamantane-1-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Cl)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Cl)C4(CCCCC4)C#N

InChI

InChI=1S/C21H29ClN2O3/c1-24(21(14-23)5-3-2-4-6-21)17(25)12-27-18(26)19-8-15-7-16(9-19)11-20(22,10-15)13-19/h15-16H,2-13H2,1H3/t15-,16-,19?,20?/m0/s1