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

Systemtic Name: (phenylmethyl) 2-[(2R)-1-(5-bromanyl-2-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)[C@H]2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN2O5/c1-2-29-19-9-8-16(23)12-17(19)22(28)25-11-10-24-21(27)18(25)13-20(26)30-14-15-6-4-3-5-7-15/h3-9,12,18H,2,10-11,13-14H2,1H3,(H,24,27)/t18-/m1/s1