1-[(4-fluorophenyl)methyl]-2-[(furan-2-ylcarbonylamino)methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-[(furan-2-ylcarbonylamino)methyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-2-[(furan-2-carbonylamino)methyl]benzimidazole-5-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-2-[[[2-furanyl(oxo)methyl]amino]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-[(furan-2-carbonylamino)methyl]benzimidazole-5-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-2-[(2-furoylamino)methyl]benzimidazole-5-carboxylic acid Formula: C21H16FN3O4 MolecularWeight: 393.367843

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NCC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)C(=O)NCC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H16FN3O4/c22-15-6-3-13(4-7-15)12-25-17-8-5-14(21(27)28)10-16(17)24-19(25)11-23-20(26)18-2-1-9-29-18/h1-10H,11-12H2,(H,23,26)(H,27,28)