butyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-(4-allyloxy-3-bromo-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-prop-2-enoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(3-bromo-4-prop-2-enoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-allyloxy-3-bromo-benzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC=C)Br

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC=C)Br

InChI

InChI=1S/C20H25BrN2O5/c1-3-5-11-28-18(24)13-16-19(25)22-8-9-23(16)20(26)14-6-7-17(15(21)12-14)27-10-4-2/h4,6-7,12,16H,2-3,5,8-11,13H2,1H3,(H,22,25)