2-[2-[(3-fluorophenyl)carbonylamino]ethyl]-1-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[(3-fluorophenyl)carbonylamino]ethyl]-1-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-(2-furylmethyl)benzimidazole-5-carboxylic acid CAS Name: 2-[2-[[(3-fluorophenyl)-oxomethyl]amino]ethyl]-1-(2-furanylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 2-[2-[(3-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(=CC(=C1)F)C(=O)NCCC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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