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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H31BrN2O5/c1-6-14(2)30-20(27)12-17-21(28)24-9-10-25(17)19(26)13-29-18-8-7-15(11-16(18)23)22(3,4)5/h7-8,11,14,17H,6,9-10,12-13H2,1-5H3,(H,24,28)