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

Systemtic Name: 3-[[2,4-bis(fluoranyl)phenyl]methyl-cyclohexylcarbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[cyclohexanecarbonyl-[(2,4-difluorophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[cyclohexyl(oxo)methyl]-[(2,4-difluorophenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[cyclohexanecarbonyl-[(2,4-difluorophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[cyclohexanecarbonyl-(2,4-difluorobenzyl)amino]-5-phenyl-2-thenoic acid Formula: C25H23F2NO3S MolecularWeight: 455.516826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23F2NO3S/c26-19-12-11-18(20(27)13-19)15-28(24(29)17-9-5-2-6-10-17)21-14-22(32-23(21)25(30)31)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,30,31)