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

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[4-(4-fluorobenzyl)oxybenzyl]oxy-phenyl]propionic acid Formula: C37H40FNO5 MolecularWeight: 597.715603

Click to see the large picture

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)OCC4=CC=C(C=C4)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)OCC4=CC=C(C=C4)F)CCC(=O)O)C

InChI

InChI=1S/C37H40FNO5/c1-24(2)17-35(30-19-25(3)18-26(4)20-30)39-37(42)34-21-33(15-9-29(34)10-16-36(40)41)44-23-28-7-13-32(14-8-28)43-22-27-5-11-31(38)12-6-27/h5-9,11-15,18-21,24,35H,10,16-17,22-23H2,1-4H3,(H,39,42)(H,40,41)