(1R,2R)-2-[2-[4-(1H-benzimidazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid

Systemtic Name: (1R,2R)-2-[2-[4-(1H-benzimidazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid Openeye Name: (1R,2R)-2-[2-[4-(1H-benzimidazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclopentanecarboxylic acid CAS Name: (1R,2R)-2-[[2-[4-(1H-benzimidazol-2-ylamino)-3-fluorophenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: (1R,2R)-2-[2-[4-(1H-benzimidazol-2-ylamino)-3-fluorophenyl]benzoyl]cyclopentane-1-carboxylic acid Traditional Name: (1R,2R)-2-[2-[4-(1H-benzimidazol-2-ylamino)-3-fluoro-phenyl]benzoyl]cyclopentanecarboxylic acid Formula: C26H22FN3O3 MolecularWeight: 443.469583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)C(=O)O)C(=O)C2=CC=CC=C2C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5N4)F

Isomeric SMILES

C1C[C@H]([C@@H](C1)C(=O)O)C(=O)C2=CC=CC=C2C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5N4)F

InChI

InChI=1S/C26H22FN3O3/c27-20-14-15(12-13-21(20)28-26-29-22-10-3-4-11-23(22)30-26)16-6-1-2-7-17(16)24(31)18-8-5-9-19(18)25(32)33/h1-4,6-7,10-14,18-19H,5,8-9H2,(H,32,33)(H2,28,29,30)/t18-,19-/m1/s1