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

Systemtic Name: dodecyl 2-[1-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[2-(2-bromo-4-ethyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-ethyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C28H43BrN2O5 MolecularWeight: 567.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)CC)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)CC)Br

InChI

InChI=1S/C28H43BrN2O5/c1-3-5-6-7-8-9-10-11-12-13-18-35-27(33)20-24-28(34)30-16-17-31(24)26(32)21-36-25-15-14-22(4-2)19-23(25)29/h14-15,19,24H,3-13,16-18,20-21H2,1-2H3,(H,30,34)