phenethyl 2-[1-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[2-(2-bromo-4-phenylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C28H27BrN2O5 MolecularWeight: 551.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

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