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

Systemtic Name: 2-methoxyethyl 2-[1-(5-bromanyl-2-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-(5-bromo-2-hexoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-(5-bromo-2-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-hexoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C22H31BrN2O6 MolecularWeight: 499.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCOC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)N2CCNC(=O)C2CC(=O)OCCOC

InChI

InChI=1S/C22H31BrN2O6/c1-3-4-5-6-11-30-19-8-7-16(23)14-17(19)22(28)25-10-9-24-21(27)18(25)15-20(26)31-13-12-29-2/h7-8,14,18H,3-6,9-13,15H2,1-2H3,(H,24,27)