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

Systemtic Name: butyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isobutoxy-benzoyl)-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)C2=CC(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC(C)C)Br

InChI

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