2-butyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[1-(2-cyanophenyl)-4-indolyl]methyl]-5-(trifluoromethyl)-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[[1-(2-cyanophenyl)indol-4-yl]methyl]-5-(trifluoromethyl)imidazole-4-carboxylic acid Formula: C25H21F3N4O2 MolecularWeight: 466.45505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=C3C=CN(C3=CC=C2)C4=CC=CC=C4C#N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C25H21F3N4O2/c1-2-3-11-21-30-23(25(26,27)28)22(24(33)34)32(21)15-17-8-6-10-20-18(17)12-13-31(20)19-9-5-4-7-16(19)14-29/h4-10,12-13H,2-3,11,15H2,1H3,(H,33,34)