(E)-4-[[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-anilino]-4-keto-but-2-enoic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H33NO4/c1-7-11-21(3,4)16-13-15(23-18(24)9-10-19(25)26)14-17(20(16)27)22(5,6)12-8-2/h9-10,13-14,27H,7-8,11-12H2,1-6H3,(H,23,24)(H,25,26)/b10-9+