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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H27BrN2O3 MolecularWeight: 423.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H27BrN2O3/c21-19-9-14-6-15(10-19)8-18(7-14,12-19)17(25)26-11-16(24)23-20(13-22)4-2-1-3-5-20/h14-15H,1-12H2,(H,23,24)/t14-,15-,18?,19?/m0/s1