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

Systemtic Name: phenethyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3)C)Br

InChI

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