2-(quinolin-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid

Systemtic Name: 2-(quinolin-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid Openeye Name: 2-(6-quinolylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid CAS Name: 2-(6-quinolinylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-(quinolin-6-ylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid Traditional Name: 2-(6-quinolylamino)-1-[2-(trifluoromethyl)benzyl]benzimidazole-5-carboxylic acid Formula: C25H17F3N4O2 MolecularWeight: 462.42329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)C(=O)O)N=C2NC4=CC5=C(C=C4)N=CC=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)C(=O)O)N=C2NC4=CC5=C(C=C4)N=CC=C5)C(F)(F)F

InChI

InChI=1S/C25H17F3N4O2/c26-25(27,28)19-6-2-1-4-17(19)14-32-22-10-7-16(23(33)34)13-21(22)31-24(32)30-18-8-9-20-15(12-18)5-3-11-29-20/h1-13H,14H2,(H,30,31)(H,33,34)