butyl 2-[(2R)-1-(5-bromanyl-2-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2R)-1-(5-bromanyl-2-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2R)-1-(5-bromo-2-propoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[(5-bromo-2-propoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2R)-1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(5-bromo-2-propoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)C2=C(C=CC(=C2)Br)OCCC

InChI

InChI=1S/C20H27BrN2O5/c1-3-5-11-28-18(24)13-16-19(25)22-8-9-23(16)20(26)15-12-14(21)6-7-17(15)27-10-4-2/h6-7,12,16H,3-5,8-11,13H2,1-2H3,(H,22,25)/t16-/m1/s1