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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H35NO4 MolecularWeight: 401.539

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=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)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H35NO4/c26-20(25-14-22-5-15-1-16(6-22)3-17(2-15)7-22)12-29-21(27)23-8-18-4-19(9-23)11-24(28,10-18)13-23/h15-19,28H,1-14H2,(H,25,26)/t15?,16?,17?,18-,19-,22?,23?,24?/m0/s1