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

Systemtic Name: 2-methylpropyl 2-[1-(5-bromanyl-2-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H29BrN2O5/c1-17(2)16-33-23(29)15-21-24(30)27-11-12-28(21)25(31)20-14-19(26)8-9-22(20)32-13-10-18-6-4-3-5-7-18/h3-9,14,17,21H,10-13,15-16H2,1-2H3,(H,27,30)