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

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

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

Isomeric SMILES

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

InChI

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