[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (5R,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (5R,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5R,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5R,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H]1CC(C2)(C3)O)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H33NO4/c25-19(24-22-7-14-1-15(8-22)3-16(2-14)9-22)12-28-20(26)21-5-17-4-18(6-21)11-23(27,10-17)13-21/h14-18,27H,1-13H2,(H,24,25)/t14?,15?,16?,17-,18-,21?,22?,23?/m1/s1