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

Systemtic Name: 3-[4-[(4-chloranyl-3-fluoranyl-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-chloro-3-fluoro-phenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(4-chloro-3-fluorophenyl)methoxy]-2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-chloro-3-fluorophenyl)methoxy]-2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(4-chloro-3-fluoro-benzyl)oxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propionic acid Formula: C30H33ClFNO4 MolecularWeight: 526.038723

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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(=C(C=C3)Cl)F)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=CC(=C(C=C3)Cl)F)CCC(=O)O)C

InChI

InChI=1S/C30H33ClFNO4/c1-18(2)11-28(23-13-19(3)12-20(4)14-23)33-30(36)25-16-24(8-6-22(25)7-10-29(34)35)37-17-21-5-9-26(31)27(32)15-21/h5-6,8-9,12-16,18,28H,7,10-11,17H2,1-4H3,(H,33,36)(H,34,35)