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

Systemtic Name: dodecyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C27H40BrClN2O5 MolecularWeight: 587.9739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C27H40BrClN2O5/c1-3-4-5-6-7-8-9-10-11-12-17-35-25(32)19-23-26(33)30-15-16-31(23)27(34)20(2)36-24-14-13-21(29)18-22(24)28/h13-14,18,20,23H,3-12,15-17,19H2,1-2H3,(H,30,33)