3-[cyclohexylcarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[cyclohexylcarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[cyclohexanecarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[cyclohexyl(oxo)methyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[cyclohexanecarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[cyclohexanecarbonyl-[4-(trifluoromethyl)benzyl]amino]-5-phenyl-2-thenoic acid Formula: C26H24F3NO3S MolecularWeight: 487.53387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H24F3NO3S/c27-26(28,29)20-13-11-17(12-14-20)16-30(24(31)19-9-5-2-6-10-19)21-15-22(34-23(21)25(32)33)18-7-3-1-4-8-18/h1,3-4,7-8,11-15,19H,2,5-6,9-10,16H2,(H,32,33)