2-[3-[2-[(2-butanoyl-3,5-dimethyl-4-oxidanyl-phenyl)amino]ethanoylamino]-4-tert-butyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-[(2-butanoyl-3,5-dimethyl-4-oxidanyl-phenyl)amino]ethanoylamino]-4-tert-butyl-phenyl]ethanoic acid Openeye Name: 2-[3-[[2-(2-butanoyl-4-hydroxy-3,5-dimethyl-anilino)acetyl]amino]-4-tert-butyl-phenyl]acetic acid CAS Name: 2-[4-tert-butyl-3-[[2-[4-hydroxy-3,5-dimethyl-2-(1-oxobutyl)anilino]-1-oxoethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[2-(2-butanoyl-4-hydroxy-3,5-dimethylanilino)acetyl]amino]-4-tert-butylphenyl]acetic acid Traditional Name: 2-[4-tert-butyl-3-[[2-(2-butyryl-4-hydroxy-3,5-dimethyl-anilino)acetyl]amino]phenyl]acetic acid Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(C(=C1C)O)C)NCC(=O)NC2=C(C=CC(=C2)CC(=O)O)C(C)(C)C

Isomeric SMILES

CCCC(=O)C1=C(C=C(C(=C1C)O)C)NCC(=O)NC2=C(C=CC(=C2)CC(=O)O)C(C)(C)C

InChI

InChI=1S/C26H34N2O5/c1-7-8-21(29)24-16(3)25(33)15(2)11-20(24)27-14-22(30)28-19-12-17(13-23(31)32)9-10-18(19)26(4,5)6/h9-12,27,33H,7-8,13-14H2,1-6H3,(H,28,30)(H,31,32)