(phenylmethyl) 2-[1-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]-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)(C)C1=C(C=CC(=C1)Br)OCC(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN2O5/c1-25(2,3)19-13-18(26)9-10-21(19)32-16-22(29)28-12-11-27-24(31)20(28)14-23(30)33-15-17-7-5-4-6-8-17/h4-10,13,20H,11-12,14-16H2,1-3H3,(H,27,31)