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

Systemtic Name: [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] (5R,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1S)-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl] (5R,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5R,7S)-3-bromo-1-adamantanecarboxylic acid [(2S)-1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (5R,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5R,7S)-3-bromoadamantane-1-carboxylic acid [(1S)-2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl] ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C45CC6CC(C4)CC(C6)(C5)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C45C[C@H]6C[C@@H](C4)CC(C6)(C5)Br

InChI

InChI=1S/C27H28BrNO5/c1-15(33-25(31)26-10-16-7-17(11-26)13-27(28,12-16)14-26)24(30)29-20-9-22-19(8-23(20)32-2)18-5-3-4-6-21(18)34-22/h3-6,8-9,15-17H,7,10-14H2,1-2H3,(H,29,30)/t15-,16-,17+,26?,27?/m0/s1