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

Systemtic Name: butan-2-yl 2-[1-(5-bromanyl-2-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(5-bromo-2-butoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(5-bromo-2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-butoxy-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:

CCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC

InChI

InChI=1S/C21H29BrN2O5/c1-4-6-11-28-18-8-7-15(22)12-16(18)21(27)24-10-9-23-20(26)17(24)13-19(25)29-14(3)5-2/h7-8,12,14,17H,4-6,9-11,13H2,1-3H3,(H,23,26)