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

Systemtic Name: butan-2-yl 2-[1-(3-bromanyl-4-propan-2-yloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-(3-bromo-4-isopropoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-propan-2-yloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-(3-bromo-4-propan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isopropoxy-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:

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

Isomeric SMILES

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

InChI

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