3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[2-(trifluoromethyl)benzyl]oxy-phenyl]propionic acid Formula: C31H34F3NO4 MolecularWeight: 541.60117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3C(F)(F)F)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3C(F)(F)F)CCC(=O)O)C

InChI

InChI=1S/C31H34F3NO4/c1-19(2)13-28(24-15-20(3)14-21(4)16-24)35-30(38)26-17-25(11-9-22(26)10-12-29(36)37)39-18-23-7-5-6-8-27(23)31(32,33)34/h5-9,11,14-17,19,28H,10,12-13,18H2,1-4H3,(H,35,38)(H,36,37)