[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C21H32BrNO3 MolecularWeight: 426.38768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)CC23C[C@@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H32BrNO3/c22-21-9-16-6-17(10-21)8-20(7-16,14-21)11-19(25)26-13-18(24)23-12-15-4-2-1-3-5-15/h15-17H,1-14H2,(H,23,24)/t16-,17-,20?,21?/m0/s1