3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoic acid Openeye Name: 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoic acid CAS Name: 3-[4-tert-butyl-3-[[3-(2,6-dimethoxyphenyl)-1-oxooctyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propanoic acid Traditional Name: 3-[4-tert-butyl-3-[3-(2,6-dimethoxyphenyl)octanoylamino]phenyl]propionic acid Formula: C29H41NO5 MolecularWeight: 483.63954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CCC(=O)O)C(C)(C)C)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CCC(=O)O)C(C)(C)C)C2=C(C=CC=C2OC)OC

InChI

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