[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C25H33N3O5/c1-17(29)27-25-13-18-10-19(14-25)12-24(11-18,16-25)23(31)33-15-22(30)26-20-2-4-21(5-3-20)28-6-8-32-9-7-28/h2-5,18-19H,6-16H2,1H3,(H,26,30)(H,27,29)/t18-,19+,24?,25?