[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C25H33NO4/c27-22(26-8-6-19(7-9-26)10-18-4-2-1-3-5-18)16-30-23(28)24-12-20-11-21(13-24)15-25(29,14-20)17-24/h1-5,19-21,29H,6-17H2/t20-,21+,24?,25?