2-[5-(1H-benzimidazol-2-ylmethoxycarbonylamino)-2-fluoranyl-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 2-[5-(1H-benzimidazol-2-ylmethoxycarbonylamino)-2-fluoranyl-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-[5-(1H-benzimidazol-2-ylmethoxycarbonylamino)-2-fluoro-phenyl]-2-isopropoxy-propanoic acid CAS Name: 2-[5-[[1H-benzimidazol-2-ylmethoxy(oxo)methyl]amino]-2-fluorophenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 2-[5-(1H-benzimidazol-2-ylmethoxycarbonylamino)-2-fluorophenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-[5-(1H-benzimidazol-2-ylmethoxycarbonylamino)-2-fluoro-phenyl]-2-isopropoxy-propionic acid Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C)(C1=C(C=CC(=C1)NC(=O)OCC2=NC3=CC=CC=C3N2)F)C(=O)O

Isomeric SMILES

CC(C)OC(C)(C1=C(C=CC(=C1)NC(=O)OCC2=NC3=CC=CC=C3N2)F)C(=O)O

InChI

InChI=1S/C21H22FN3O5/c1-12(2)30-21(3,19(26)27)14-10-13(8-9-15(14)22)23-20(28)29-11-18-24-16-6-4-5-7-17(16)25-18/h4-10,12H,11H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)