3-[3-[[2-tert-butyl-3-(2,4-dimethoxyphenyl)octanoyl]amino]phenyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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