butyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C20H27BrN2O5/c1-4-5-8-27-18(25)11-16-20(26)22-6-7-23(16)17(24)12-28-19-13(2)9-15(21)10-14(19)3/h9-10,16H,4-8,11-12H2,1-3H3,(H,22,26)