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

Systemtic Name: [2-(diphenethylamino)-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(diphenethylamino)-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-(diphenethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diphenethylamino)-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-(diphenethylamino)-2-keto-ethyl] ester Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)N(CCC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)N(CCC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C31H38N2O4/c1-23(34)32-31-19-26-16-27(20-31)18-30(17-26,22-31)29(36)37-21-28(35)33(14-12-24-8-4-2-5-9-24)15-13-25-10-6-3-7-11-25/h2-11,26-27H,12-22H2,1H3,(H,32,34)/t26-,27+,30?,31?