(phenylmethyl) 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C24H27BrN2O5 MolecularWeight: 503.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C24H27BrN2O5/c1-15-11-19(25)12-16(2)22(15)32-17(3)24(30)27-10-9-26-23(29)20(27)13-21(28)31-14-18-7-5-4-6-8-18/h4-8,11-12,17,20H,9-10,13-14H2,1-3H3,(H,26,29)