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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OC(C)CC

InChI

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