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

Systemtic Name: cyclohexyl 2-[(2R)-1-(5-bromanyl-2-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[(2R)-1-(5-bromo-2-ethoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(5-bromo-2-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(2R)-1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(5-bromo-2-ethoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C21H27BrN2O5 MolecularWeight: 467.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)[C@H]2CC(=O)OC3CCCCC3

InChI

InChI=1S/C21H27BrN2O5/c1-2-28-18-9-8-14(22)12-16(18)21(27)24-11-10-23-20(26)17(24)13-19(25)29-15-6-4-3-5-7-15/h8-9,12,15,17H,2-7,10-11,13H2,1H3,(H,23,26)/t17-/m1/s1