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

Systemtic Name: butan-2-yl 2-[1-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[2-(4-bromo-2-chloro-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-chloro-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C18H22BrClN2O5 MolecularWeight: 461.73468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C18H22BrClN2O5/c1-3-11(2)27-17(24)9-14-18(25)21-6-7-22(14)16(23)10-26-15-5-4-12(19)8-13(15)20/h4-5,8,11,14H,3,6-7,9-10H2,1-2H3,(H,21,25)