[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H26BrNO4/c1-13(27-18-4-2-17(22)3-5-18)20(25)26-12-19(24)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,24)