cyclohexyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[2-(2-bromo-4-chloro-phenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[2-(2-bromo-4-chlorophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-chloro-phenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C21H26BrClN2O5 MolecularWeight: 501.79854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1CC(=O)OC2CCCCC2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1CC(=O)OC2CCCCC2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C21H26BrClN2O5/c1-13(29-18-8-7-14(23)11-16(18)22)21(28)25-10-9-24-20(27)17(25)12-19(26)30-15-5-3-2-4-6-15/h7-8,11,13,15,17H,2-6,9-10,12H2,1H3,(H,24,27)