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

Systemtic Name: 3-methylbutyl 2-[1-(5-bromanyl-2-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(5-bromo-2-ethoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-ethoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C20H27BrN2O5/c1-4-27-17-6-5-14(21)11-15(17)20(26)23-9-8-22-19(25)16(23)12-18(24)28-10-7-13(2)3/h5-6,11,13,16H,4,7-10,12H2,1-3H3,(H,22,25)