3-[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]propanoic acid Openeye Name: 3-[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]propanoic acid CAS Name: 3-[4-tert-butyl-3-[[1-oxo-3-(2,4,5-trimethoxyphenyl)octyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]propanoic acid Traditional Name: 3-[3-(3-asaryloctanoylamino)-4-tert-butyl-phenyl]propionic acid Formula: C30H43NO6 MolecularWeight: 513.66552

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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=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO6/c1-8-9-10-11-21(22-18-26(36-6)27(37-7)19-25(22)35-5)17-28(32)31-24-16-20(13-15-29(33)34)12-14-23(24)30(2,3)4/h12,14,16,18-19,21H,8-11,13,15,17H2,1-7H3,(H,31,32)(H,33,34)