[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C24H31BrN2O4 MolecularWeight: 491.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C24H31BrN2O4/c1-16(21(28)26-19-2-4-20(5-3-19)27-6-8-30-9-7-27)31-22(29)23-11-17-10-18(12-23)14-24(25,13-17)15-23/h2-5,16-18H,6-15H2,1H3,(H,26,28)/t16-,17-,18+,23?,24?/m1/s1