[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H30BrNO3 MolecularWeight: 400.3504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

InChI

InChI=1S/C19H30BrNO3/c1-12(2)10-21-17(23)13(3)24-16(22)9-18-5-14-4-15(6-18)8-19(20,7-14)11-18/h12-15H,4-11H2,1-3H3,(H,21,23)