cyclohexyl 2-[(2R)-1-(5-bromanyl-2-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[(2R)-1-(5-bromanyl-2-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(5-bromo-2-propoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(5-bromo-2-propoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C22H29BrN2O5 MolecularWeight: 481.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)[C@H]2CC(=O)OC3CCCCC3

InChI

InChI=1S/C22H29BrN2O5/c1-2-12-29-19-9-8-15(23)13-17(19)22(28)25-11-10-24-21(27)18(25)14-20(26)30-16-6-4-3-5-7-16/h8-9,13,16,18H,2-7,10-12,14H2,1H3,(H,24,27)/t18-/m1/s1