butan-2-yl 2-[1-[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(3-bromo-4-isopentyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[3-bromo-4-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isoamoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C22H31BrN2O5 MolecularWeight: 483.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN2O5/c1-5-15(4)30-20(26)13-18-21(27)24-9-10-25(18)22(28)16-6-7-19(17(23)12-16)29-11-8-14(2)3/h6-7,12,14-15,18H,5,8-11,13H2,1-4H3,(H,24,27)