(2S)-2-(4-tert-butylphenoxy)-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-(4-tert-butylphenoxy)-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: (2S)-2-(4-tert-butylphenoxy)-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propanoic acid CAS Name: (2S)-2-(4-tert-butylphenoxy)-3-[4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(4-tert-butylphenoxy)-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: (2S)-2-(4-tert-butylphenoxy)-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propionic acid Formula: C33H34N2O5 MolecularWeight: 538.63346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(CC2=CC=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)O[C@@H](CC2=CC=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C33H34N2O5/c1-33(2,3)26-13-17-28(18-14-26)40-30(32(37)38)22-23-7-15-27(16-8-23)39-21-20-35-31(36)25-11-9-24(10-12-25)29-6-4-5-19-34-29/h4-19,30H,20-22H2,1-3H3,(H,35,36)(H,37,38)/t30-/m0/s1