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

Systemtic Name: decyl 2-[1-[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 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 decyl ester Formula: C27H41BrN2O5 MolecularWeight: 553.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41BrN2O5/c1-4-5-6-7-8-9-10-11-16-34-25(31)18-23-26(32)29-14-15-30(23)27(33)22-17-21(28)12-13-24(22)35-19-20(2)3/h12-13,17,20,23H,4-11,14-16,18-19H2,1-3H3,(H,29,32)