butan-2-yl 2-[1-[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(5-bromo-2-isobutoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[5-bromo-2-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[5-bromo-2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-isobutoxy-benzoyl)-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)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C21H29BrN2O5/c1-5-14(4)29-19(25)11-17-20(26)23-8-9-24(17)21(27)16-10-15(22)6-7-18(16)28-12-13(2)3/h6-7,10,13-14,17H,5,8-9,11-12H2,1-4H3,(H,23,26)