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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)O

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)O

InChI

InChI=1S/C17H27NO4/c1-11(2)8-18-14(19)9-22-15(20)16-4-12-3-13(5-16)7-17(21,6-12)10-16/h11-13,21H,3-10H2,1-2H3,(H,18,19)/t12-,13-,16?,17?/m0/s1