oxolan-2-ylmethyl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: oxolan-2-ylmethyl 2-[1-(3-bromanyl-4-hexoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-hexoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[1-(3-bromo-4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-hexoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C24H33BrN2O6 MolecularWeight: 525.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3CCCO3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC3CCCO3)Br

InChI

InChI=1S/C24H33BrN2O6/c1-2-3-4-5-12-32-21-9-8-17(14-19(21)25)24(30)27-11-10-26-23(29)20(27)15-22(28)33-16-18-7-6-13-31-18/h8-9,14,18,20H,2-7,10-13,15-16H2,1H3,(H,26,29)