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

Systemtic Name: 3-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isobutyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isobutyl-[4-(trifluoromethyl)benzyl]amino]-5-phenyl-2-thenoic acid Formula: C23H22F3NO2S MolecularWeight: 433.48649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)C(F)(F)F)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)C(F)(F)F)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H22F3NO2S/c1-15(2)13-27(14-16-8-10-18(11-9-16)23(24,25)26)19-12-20(30-21(19)22(28)29)17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3,(H,28,29)