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

Systemtic Name: cyclohexyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C23H31BrN2O5 MolecularWeight: 495.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)C)Br

InChI

InChI=1S/C23H31BrN2O5/c1-14-11-17(24)12-15(2)21(14)30-16(3)23(29)26-10-9-25-22(28)19(26)13-20(27)31-18-7-5-4-6-8-18/h11-12,16,18-19H,4-10,13H2,1-3H3,(H,25,28)