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

Systemtic Name: phenethyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)Br

InChI

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