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

Systemtic Name: butan-2-yl 2-[1-(3-bromanyl-4-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(3-bromo-4-ethoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(3-bromo-4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-ethoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC)Br

InChI

InChI=1S/C19H25BrN2O5/c1-4-12(3)27-17(23)11-15-18(24)21-8-9-22(15)19(25)13-6-7-16(26-5-2)14(20)10-13/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H,21,24)