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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7S)-3-hydroxyadamantane-1-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4/c1-12(2)3-4-19-15(20)10-23-16(21)17-6-13-5-14(7-17)9-18(22,8-13)11-17/h12-14,22H,3-11H2,1-2H3,(H,19,20)/t13-,14-,17?,18?/m0/s1