[2-(1-adamantyl)-2-oxidanylidene-ethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7S)-3-acetamido-1-adamantanecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (5S,7S)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-acetamidoadamantane-1-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)NC12C[C@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H35NO4/c1-15(27)26-25-11-19-5-20(12-25)10-24(9-19,14-25)22(29)30-13-21(28)23-6-16-2-17(7-23)4-18(3-16)8-23/h16-20H,2-14H2,1H3,(H,26,27)/t16?,17?,18?,19-,20-,23?,24?,25?/m0/s1