methyl 4-[[5-[3-(4-bromanylpyrazol-1-yl)propylcarbamoyl]furan-2-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[5-[3-(4-bromanylpyrazol-1-yl)propylcarbamoyl]furan-2-yl]methoxy]benzoate Openeye Name: methyl 4-[[5-[3-(4-bromopyrazol-1-yl)propylcarbamoyl]-2-furyl]methoxy]benzoate CAS Name: 4-[[5-[[3-(4-bromo-1-pyrazolyl)propylamino]-oxomethyl]-2-furanyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[3-(4-bromopyrazol-1-yl)propylcarbamoyl]furan-2-yl]methoxy]benzoate Traditional Name: 4-[[5-[3-(4-bromopyrazol-1-yl)propylcarbamoyl]-2-furyl]methoxy]benzoic acid methyl ester Formula: C20H20BrN3O5 MolecularWeight: 462.2939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCCCN3C=C(C=N3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C20H20BrN3O5/c1-27-20(26)14-3-5-16(6-4-14)28-13-17-7-8-18(29-17)19(25)22-9-2-10-24-12-15(21)11-23-24/h3-8,11-12H,2,9-10,13H2,1H3,(H,22,25)