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

Systemtic Name: butyl 2-[1-[3-bromanyl-4-(oxolan-2-ylmethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H29BrN2O6 MolecularWeight: 497.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O6/c1-2-3-10-30-20(26)13-18-21(27)24-8-9-25(18)22(28)15-6-7-19(17(23)12-15)31-14-16-5-4-11-29-16/h6-7,12,16,18H,2-5,8-11,13-14H2,1H3,(H,24,27)