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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H26BrNO3/c23-22-11-14-8-15(12-22)10-21(9-14,13-22)20(26)27-18(16-4-2-1-3-5-16)19(25)24-17-6-7-17/h1-5,14-15,17-18H,6-13H2,(H,24,25)