2-(3-azanyl-4-fluoranyl-phenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylic acid

Systemtic Name: 2-(3-azanyl-4-fluoranyl-phenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylic acid Openeye Name: 2-(3-amino-4-fluoro-phenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylic acid CAS Name: 2-(3-amino-4-fluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-(3-amino-4-fluorophenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylic acid Traditional Name: 2-(3-amino-4-fluoro-phenyl)-1-[2-(4-methoxyphenyl)ethyl]benzimidazole-5-carboxylic acid Formula: C23H20FN3O3 MolecularWeight: 405.421603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=C(C=C4)F)N

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=C(C=C4)F)N

InChI

InChI=1S/C23H20FN3O3/c1-30-17-6-2-14(3-7-17)10-11-27-21-9-5-16(23(28)29)13-20(21)26-22(27)15-4-8-18(24)19(25)12-15/h2-9,12-13H,10-11,25H2,1H3,(H,28,29)