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

Systemtic Name: (phenylmethyl) 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(5-bromo-2-isopentyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[5-bromo-2-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-isoamoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

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