2-[4-[[5-butyl-2-oxidanylidene-3-phenethyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-butyl-2-oxidanylidene-3-phenethyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-butyl-2-oxo-3-phenethyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butyl-2-oxo-3-phenethyl-4-(trifluoromethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-butyl-2-oxo-3-phenethyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-butyl-2-keto-3-phenethyl-4-(trifluoromethyl)-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C30H29F3N2O3 MolecularWeight: 522.55807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C30H29F3N2O3/c1-2-3-13-26-27(30(31,32)33)34(19-18-21-9-5-4-6-10-21)29(38)35(26)20-22-14-16-23(17-15-22)24-11-7-8-12-25(24)28(36)37/h4-12,14-17H,2-3,13,18-20H2,1H3,(H,36,37)