[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C20H30BrNO3 MolecularWeight: 412.3611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H30BrNO3/c21-20-10-14-7-15(11-20)9-19(8-14,13-20)18(24)25-12-17(23)22-16-5-3-1-2-4-6-16/h14-16H,1-13H2,(H,22,23)/t14-,15-,19?,20?/m0/s1