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

Systemtic Name: butyl 2-[1-[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C20H27BrN2O6 MolecularWeight: 471.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O6/c1-3-4-9-29-18(24)13-16-19(25)22-7-8-23(16)20(26)14-5-6-17(15(21)12-14)28-11-10-27-2/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,22,25)