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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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