2-methylpropyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C22H31BrN2O5 MolecularWeight: 483.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCC(C)C)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCC(C)C)Br

InChI

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