methyl 2-[[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]amino]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]amino]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridyl]amino]-3H-benzimidazole-5-carboxylate CAS Name: 2-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]amino]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridyl]amino]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C21H15F3N4O3 MolecularWeight: 428.36401

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)NC3=C(N=CC=C3)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)NC3=C(N=CC=C3)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4O3/c1-30-19(29)12-7-8-15-17(10-12)28-20(26-15)27-16-6-3-9-25-18(16)31-14-5-2-4-13(11-14)21(22,23)24/h2-11H,1H3,(H2,26,27,28)