[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H29N3O4/c26-19(25-7-5-24(6-8-25)18-3-1-2-4-23-18)14-29-20(27)21-10-16-9-17(11-21)13-22(28,12-16)15-21/h1-4,16-17,28H,5-15H2