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

Systemtic Name: (phenylmethyl) 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H22BrClN2O5 MolecularWeight: 509.77748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C22H22BrClN2O5/c1-14(31-19-8-7-16(24)11-17(19)23)22(29)26-10-9-25-21(28)18(26)12-20(27)30-13-15-5-3-2-4-6-15/h2-8,11,14,18H,9-10,12-13H2,1H3,(H,25,28)