(phenylmethyl) 2-[1-(3-bromanyl-4-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-(3-bromanyl-4-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(3-bromo-4-phenethyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(3-bromo-4-phenethyloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-phenethyloxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C28H27BrN2O5 MolecularWeight: 551.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C28H27BrN2O5/c29-23-17-22(11-12-25(23)35-16-13-20-7-3-1-4-8-20)28(34)31-15-14-30-27(33)24(31)18-26(32)36-19-21-9-5-2-6-10-21/h1-12,17,24H,13-16,18-19H2,(H,30,33)