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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H30BrNO3/c1-13-4-2-3-5-16(13)22-17(23)11-25-18(24)19-7-14-6-15(8-19)10-20(21,9-14)12-19/h13-16H,2-12H2,1H3,(H,22,23)/t13-,14-,15+,16+,19?,20?/m0/s1