[2-(1-adamantylcarbonylamino)pyridin-3-yl] adamantane-1-carboxylate trihydrate hydrochloride

Systemtic Name: [2-(1-adamantylcarbonylamino)pyridin-3-yl] adamantane-1-carboxylate trihydrate hydrochloride Openeye Name: [2-(adamantane-1-carbonylamino)-3-pyridyl] adamantane-1-carboxylate trihydrate hydrochloride CAS Name: 1-adamantanecarboxylic acid [2-[[1-adamantyl(oxo)methyl]amino]-3-pyridinyl] ester trihydrate hydrochloride IUPAC Name: [2-(adamantane-1-carbonylamino)pyridin-3-yl] adamantane-1-carboxylate trihydrate hydrochloride Traditional Name: adamantane-1-carboxylic acid [2-(adamantane-1-carbonylamino)-3-pyridyl] ester trihydrate hydrochloride Formula: C27H41ClN2O6 MolecularWeight: 525.07724

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC=N4)OC(=O)C56CC7CC(C5)CC(C7)C6.O.O.O.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC=N4)OC(=O)C56CC7CC(C5)CC(C7)C6.O.O.O.Cl

InChI

InChI=1S/C27H34N2O3.ClH.3H2O/c30-24(26-10-16-4-17(11-26)6-18(5-16)12-26)29-23-22(2-1-3-28-23)32-25(31)27-13-19-7-20(14-27)9-21(8-19)15-27;;;;/h1-3,16-21H,4-15H2,(H,28,29,30);1H;3*1H2