4-[[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[oxo-[5-[[3-(trifluoromethyl)-1-pyrazolyl]methyl]-2-furanyl]methyl]amino]methyl]benzoate IUPAC Name: 4-[[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-furoyl]amino]methyl]benzoate Formula: C18H13F3N3O4- MolecularWeight: 392.30873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)CN3C=CC(=N3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(O2)CN3C=CC(=N3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C18H14F3N3O4/c19-18(20,21)15-7-8-24(23-15)10-13-5-6-14(28-13)16(25)22-9-11-1-3-12(4-2-11)17(26)27/h1-8H,9-10H2,(H,22,25)(H,26,27)/p-1