3-methylbutyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C22H31BrN2O5 MolecularWeight: 483.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC(C)C)Br

InChI

InChI=1S/C22H31BrN2O5/c1-14(2)7-10-29-20(26)12-18-21(27)24-8-9-25(18)22(28)16-5-6-19(17(23)11-16)30-13-15(3)4/h5-6,11,14-15,18H,7-10,12-13H2,1-4H3,(H,24,27)