2-[[3-butyl-5-(3-methylbutyl)-2-oxidanylidene-4-(trifluoromethyl)imidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[3-butyl-5-(3-methylbutyl)-2-oxidanylidene-4-(trifluoromethyl)imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[3-butyl-5-isopentyl-2-oxo-4-(trifluoromethyl)imidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[3-butyl-5-(3-methylbutyl)-2-oxo-4-(trifluoromethyl)-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-butyl-5-(3-methylbutyl)-2-oxo-4-(trifluoromethyl)imidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[3-butyl-5-isoamyl-2-keto-4-(trifluoromethyl)-4-imidazolin-1-yl]methyl]-6-phenyl-benzoic acid Formula: C27H31F3N2O3 MolecularWeight: 488.54185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)C(F)(F)F

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)C(F)(F)F

InChI

InChI=1S/C27H31F3N2O3/c1-4-5-16-31-24(27(28,29)30)22(15-14-18(2)3)32(26(31)35)17-20-12-9-13-21(23(20)25(33)34)19-10-7-6-8-11-19/h6-13,18H,4-5,14-17H2,1-3H3,(H,33,34)