2-[2-[(2-fluorophenyl)carbonylamino]ethyl]-1-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[(2-fluorophenyl)carbonylamino]ethyl]-1-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(2-furylmethyl)benzimidazole-5-carboxylic acid CAS Name: 2-[2-[[(2-fluorophenyl)-oxomethyl]amino]ethyl]-1-(2-furanylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 2-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(2-furfuryl)benzimidazole-5-carboxylic acid Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C22H18FN3O4/c23-17-6-2-1-5-16(17)21(27)24-10-9-20-25-18-12-14(22(28)29)7-8-19(18)26(20)13-15-4-3-11-30-15/h1-8,11-12H,9-10,13H2,(H,24,27)(H,28,29)