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

Systemtic Name: cyclohexyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)Br

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)Br

InChI

InChI=1S/C22H27BrN2O5/c1-2-12-29-19-9-8-15(13-17(19)23)22(28)25-11-10-24-21(27)18(25)14-20(26)30-16-6-4-3-5-7-16/h2,8-9,13,16,18H,1,3-7,10-12,14H2,(H,24,27)