[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO3/c1-23(2)18(24)17(16-6-4-3-5-7-16)26-19(25)20-9-14-8-15(10-20)12-21(22,11-14)13-20/h3-7,14-15,17H,8-13H2,1-2H3