3-[[4-[1-[4-(4-tert-butylphenyl)-3,5-dimethyl-phenoxy]-3,3-dimethyl-butyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-[1-[4-(4-tert-butylphenyl)-3,5-dimethyl-phenoxy]-3,3-dimethyl-butyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[1-[4-(4-tert-butylphenyl)-3,5-dimethyl-phenoxy]-3,3-dimethyl-butyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-3,3-dimethylbutyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-3,3-dimethylbutyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[1-[4-(4-tert-butylphenyl)-3,5-dimethyl-phenoxy]-3,3-dimethyl-butyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C34H43NO5 MolecularWeight: 545.70892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)OC(CC(C)(C)C)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)OC(CC(C)(C)C)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C34H43NO5/c1-21-17-27(18-22(2)30(21)24-13-15-26(16-14-24)34(6,7)8)40-29(19-33(3,4)5)23-9-11-25(12-10-23)31(37)35-20-28(36)32(38)39/h9-18,28-29,36H,19-20H2,1-8H3,(H,35,37)(H,38,39)