butan-2-yl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H29BrN2O5/c1-6-14(4)28-18(25)11-17-20(26)23-7-8-24(17)21(27)15(5)29-19-12(2)9-16(22)10-13(19)3/h9-10,14-15,17H,6-8,11H2,1-5H3,(H,23,26)