3-[2-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-3-yn-2-yl]carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[2-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-but-3-yn-2-yl]carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[2-[[3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethyl-prop-2-ynyl]carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid CAS Name: 3-[2-[[[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl]amino]-oxomethyl]-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[2-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylbut-3-yn-2-yl]carbamoyl]-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid Traditional Name: 3-[2-[[3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dimethyl-prop-2-ynyl]carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propionic acid Formula: C27H27F6NO3 MolecularWeight: 527.498599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)NC(C)(C)C#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CC(C)(C)C(=O)O)C(=O)NC(C)(C)C#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C27H27F6NO3/c1-15-9-16(2)21(18(10-15)14-24(3,4)23(36)37)22(35)34-25(5,6)8-7-17-11-19(26(28,29)30)13-20(12-17)27(31,32)33/h9-13H,14H2,1-6H3,(H,34,35)(H,36,37)