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

Systemtic Name: butyl 2-[1-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[2-(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O5/c1-3-4-9-26-18(24)11-15-19(25)21-7-8-22(15)17(23)12-27-16-6-5-14(20)10-13(16)2/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,21,25)