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

Systemtic Name: butyl 2-[1-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C(C)C

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C(C)C

InChI

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