2-methylpropyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-[3-bromo-4-(tetrahydrofuran-2-ylmethoxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-oxolanylmethoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-bromo-4-(tetrahydrofurfuryloxy)benzoyl]-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C22H29BrN2O6 MolecularWeight: 497.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC3CCCO3)Br

InChI

InChI=1S/C22H29BrN2O6/c1-14(2)12-31-20(26)11-18-21(27)24-7-8-25(18)22(28)15-5-6-19(17(23)10-15)30-13-16-4-3-9-29-16/h5-6,10,14,16,18H,3-4,7-9,11-13H2,1-2H3,(H,24,27)