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

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(4-phenoxyphenyl)methoxy]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(4-phenoxyphenyl)methoxy]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[(4-phenoxyphenyl)methoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(4-phenoxyphenyl)methoxy]phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(4-phenoxybenzyl)oxy-phenyl]propionic acid Formula: C36H39NO5 MolecularWeight: 565.69856

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)OC4=CC=CC=C4)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)OC4=CC=CC=C4)CCC(=O)O)C

InChI

InChI=1S/C36H39NO5/c1-24(2)18-34(29-20-25(3)19-26(4)21-29)37-36(40)33-22-32(16-12-28(33)13-17-35(38)39)41-23-27-10-14-31(15-11-27)42-30-8-6-5-7-9-30/h5-12,14-16,19-22,24,34H,13,17-18,23H2,1-4H3,(H,37,40)(H,38,39)