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

Systemtic Name: pentyl 2-[1-(3-bromanyl-4-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC)Br

InChI

InChI=1S/C20H27BrN2O5/c1-3-5-6-11-28-18(24)13-16-19(25)22-9-10-23(16)20(26)14-7-8-17(27-4-2)15(21)12-14/h7-8,12,16H,3-6,9-11,13H2,1-2H3,(H,22,25)