3-methylbutyl 2-[1-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-bromo-4-ethyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-ethyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)Br

InChI

InChI=1S/C21H29BrN2O5/c1-4-15-5-6-18(16(22)11-15)29-13-19(25)24-9-8-23-21(27)17(24)12-20(26)28-10-7-14(2)3/h5-6,11,14,17H,4,7-10,12-13H2,1-3H3,(H,23,27)