methyl 1-[2-(3-bromanyl-1-adamantyl)ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(3-bromanyl-1-adamantyl)ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(3-bromo-1-adamantyl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(3-bromo-1-adamantyl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(3-bromo-1-adamantyl)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H30BrNO3 MolecularWeight: 412.3611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H30BrNO3/c1-25-17(24)20(5-3-2-4-6-20)22-16(23)12-18-8-14-7-15(9-18)11-19(21,10-14)13-18/h14-15H,2-13H2,1H3,(H,22,23)