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

Systemtic Name: butan-2-yl 2-[1-(5-bromanyl-2-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(5-bromo-2-phenethyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(5-bromo-2-phenethyloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-phenethyloxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H29BrN2O5/c1-3-17(2)33-23(29)16-21-24(30)27-12-13-28(21)25(31)20-15-19(26)9-10-22(20)32-14-11-18-7-5-4-6-8-18/h4-10,15,17,21H,3,11-14,16H2,1-2H3,(H,27,30)