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

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(4-fluoranyl-3-methyl-phenyl)methoxy]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(4-fluoro-3-methyl-phenyl)methoxy]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(4-fluoro-3-methylphenyl)methoxy]phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(4-fluoro-3-methyl-benzyl)oxy-phenyl]propionic acid Formula: C31H36FNO4 MolecularWeight: 505.620243

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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)F)C)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)F)C)CCC(=O)O)C

InChI

InChI=1S/C31H36FNO4/c1-19(2)12-29(25-14-20(3)13-21(4)15-25)33-31(36)27-17-26(9-7-24(27)8-11-30(34)35)37-18-23-6-10-28(32)22(5)16-23/h6-7,9-10,13-17,19,29H,8,11-12,18H2,1-5H3,(H,33,36)(H,34,35)