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

Systemtic Name: phenethyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C23H24BrClN2O5 MolecularWeight: 523.80406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C23H24BrClN2O5/c1-15(32-20-8-7-17(25)13-18(20)24)23(30)27-11-10-26-22(29)19(27)14-21(28)31-12-9-16-5-3-2-4-6-16/h2-8,13,15,19H,9-12,14H2,1H3,(H,26,29)