methyl 4-[[2-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(3-bromanyl-1-adamantyl)ethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(3-bromo-1-adamantyl)acetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-(3-bromo-1-adamantyl)-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(3-bromo-1-adamantyl)acetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-(3-bromo-1-adamantyl)acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C23H28BrNO5/c1-29-21(28)18-4-2-15(3-5-18)12-25-19(26)13-30-20(27)11-22-7-16-6-17(8-22)10-23(24,9-16)14-22/h2-5,16-17H,6-14H2,1H3,(H,25,26)