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

Systemtic Name: 3-methylbutyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C22H31BrN2O5 MolecularWeight: 483.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN2O5/c1-13(2)6-9-29-19(26)12-18-21(27)24-7-8-25(18)22(28)16(5)30-20-14(3)10-17(23)11-15(20)4/h10-11,13,16,18H,6-9,12H2,1-5H3,(H,24,27)