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

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C23H33BrN2O5 MolecularWeight: 497.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33BrN2O5/c1-5-16(4)17-6-7-20(18(24)12-17)31-14-21(27)26-10-9-25-23(29)19(26)13-22(28)30-11-8-15(2)3/h6-7,12,15-16,19H,5,8-11,13-14H2,1-4H3,(H,25,29)