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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C20H28N2O4/c21-13-19(4-2-1-3-5-19)22-16(23)11-26-17(24)18-7-14-6-15(8-18)10-20(25,9-14)12-18/h14-15,25H,1-12H2,(H,22,23)/t14-,15-,18?,20?/m0/s1