2-[[6-butyl-2-[5-(trifluoromethyl)benzimidazol-1-yl]pyrimidin-4-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-butyl-2-[5-(trifluoromethyl)benzimidazol-1-yl]pyrimidin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-butyl-2-[5-(trifluoromethyl)benzimidazol-1-yl]pyrimidin-4-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-butyl-2-[5-(trifluoromethyl)-1-benzimidazolyl]-4-pyrimidinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-butyl-2-[5-(trifluoromethyl)benzimidazol-1-yl]pyrimidin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-butyl-2-[5-(trifluoromethyl)benzimidazol-1-yl]pyrimidin-4-yl]amino]-4-methyl-valeric acid Formula: C22H26F3N5O2 MolecularWeight: 449.46935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)N2C=NC3=C2C=CC(=C3)C(F)(F)F)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=NC(=N1)N2C=NC3=C2C=CC(=C3)C(F)(F)F)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C22H26F3N5O2/c1-4-5-6-15-11-19(28-17(20(31)32)9-13(2)3)29-21(27-15)30-12-26-16-10-14(22(23,24)25)7-8-18(16)30/h7-8,10-13,17H,4-6,9H2,1-3H3,(H,31,32)(H,27,28,29)