phenethyl 2-[1-(5-bromanyl-2-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-(5-bromanyl-2-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(5-bromo-2-phenethyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(5-bromo-2-phenethyloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-phenethyloxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C29H29BrN2O5 MolecularWeight: 565.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C29H29BrN2O5/c30-23-11-12-26(36-17-13-21-7-3-1-4-8-21)24(19-23)29(35)32-16-15-31-28(34)25(32)20-27(33)37-18-14-22-9-5-2-6-10-22/h1-12,19,25H,13-18,20H2,(H,31,34)