3-[3-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-[(3,5-dimethylphenyl)thio]-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-[(3,5-dimethylphenyl)thio]-5-isopropyl-1-[4-(trifluoromethyl)benzyl]indol-2-yl]-2,2-dimethyl-propionic acid Formula: C32H34F3NO2S MolecularWeight: 553.67807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC4=CC=C(C=C4)C(F)(F)F)CC(C)(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC4=CC=C(C=C4)C(F)(F)F)CC(C)(C)C(=O)O)C

InChI

InChI=1S/C32H34F3NO2S/c1-19(2)23-9-12-27-26(16-23)29(39-25-14-20(3)13-21(4)15-25)28(17-31(5,6)30(37)38)36(27)18-22-7-10-24(11-8-22)32(33,34)35/h7-16,19H,17-18H2,1-6H3,(H,37,38)