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

Systemtic Name: (phenylmethyl) 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C24H27BrN2O5 MolecularWeight: 503.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C24H27BrN2O5/c1-16(2)14-31-21-9-8-18(12-19(21)25)24(30)27-11-10-26-23(29)20(27)13-22(28)32-15-17-6-4-3-5-7-17/h3-9,12,16,20H,10-11,13-15H2,1-2H3,(H,26,29)