[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H20BrNO3 MolecularWeight: 366.2496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=CN4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C17H20BrNO3/c18-17-7-11-4-12(8-17)6-16(5-11,10-17)15(21)22-9-14(20)13-2-1-3-19-13/h1-3,11-12,19H,4-10H2/t11-,12+,16?,17?