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

Systemtic Name: butyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H29BrN2O5/c1-5-6-9-28-18(25)12-17-20(26)23-7-8-24(17)21(27)15(4)29-19-13(2)10-16(22)11-14(19)3/h10-11,15,17H,5-9,12H2,1-4H3,(H,23,26)