3-[4-[(2-chloranyl-6-fluoranyl-3-methyl-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-3-methyl-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-chloro-6-fluoro-3-methyl-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-chloro-6-fluoro-3-methylphenyl)methoxy]-2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-chloro-6-fluoro-3-methylphenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(2-chloro-6-fluoro-3-methyl-benzyl)oxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propionic acid Formula: C31H35ClFNO4 MolecularWeight: 540.065303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)F)COC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC(=CC(=C3)C)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)F)COC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC(CC(C)C)C3=CC(=CC(=C3)C)C)Cl

InChI

InChI=1S/C31H35ClFNO4/c1-18(2)12-28(23-14-19(3)13-20(4)15-23)34-31(37)25-16-24(9-7-22(25)8-11-29(35)36)38-17-26-27(33)10-6-21(5)30(26)32/h6-7,9-10,13-16,18,28H,8,11-12,17H2,1-5H3,(H,34,37)(H,35,36)