[4-[2-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[4-(2-furylmethylamino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[4-(2-furanylmethylamino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(furan-2-ylmethylamino)-4-oxobutanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[4-(2-furfurylamino)-4-keto-butanoyl]oxyacetyl]phenyl] ester Formula: C24H20BrNO7 MolecularWeight: 514.3221

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=COC(=C1)CNC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H20BrNO7/c25-18-7-3-17(4-8-18)24(30)33-19-9-5-16(6-10-19)21(27)15-32-23(29)12-11-22(28)26-14-20-2-1-13-31-20/h1-10,13H,11-12,14-15H2,(H,26,28)