3-[3-[[2-tert-butyl-3-(2,6-dimethoxyphenyl)octanoyl]amino]phenyl]propanoic acid

Systemtic Name: 3-[3-[[2-tert-butyl-3-(2,6-dimethoxyphenyl)octanoyl]amino]phenyl]propanoic acid Openeye Name: 3-[3-[[2-tert-butyl-3-(2,6-dimethoxyphenyl)octanoyl]amino]phenyl]propanoic acid CAS Name: 3-[3-[[2-tert-butyl-3-(2,6-dimethoxyphenyl)-1-oxooctyl]amino]phenyl]propanoic acid IUPAC Name: 3-[3-[[2-tert-butyl-3-(2,6-dimethoxyphenyl)octanoyl]amino]phenyl]propanoic acid Traditional Name: 3-[3-[[2-tert-butyl-3-(2,6-dimethoxyphenyl)octanoyl]amino]phenyl]propionic acid Formula: C29H41NO5 MolecularWeight: 483.63954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C=CC=C1OC)OC)C(C(=O)NC2=CC=CC(=C2)CCC(=O)O)C(C)(C)C

Isomeric SMILES

CCCCCC(C1=C(C=CC=C1OC)OC)C(C(=O)NC2=CC=CC(=C2)CCC(=O)O)C(C)(C)C

InChI

InChI=1S/C29H41NO5/c1-7-8-9-14-22(26-23(34-5)15-11-16-24(26)35-6)27(29(2,3)4)28(33)30-21-13-10-12-20(19-21)17-18-25(31)32/h10-13,15-16,19,22,27H,7-9,14,17-18H2,1-6H3,(H,30,33)(H,31,32)