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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H24BrNO3/c1-13(17(23)22-16-5-3-2-4-6-16)25-18(24)19-8-14-7-15(9-19)11-20(21,10-14)12-19/h2-6,13-15H,7-12H2,1H3,(H,22,23)/t13-,14-,15+,19?,20?/m1/s1