3-[4-[2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(3,5-ditert-butyl-4-hydroxy-benzoyl)amino]ethyl]phenyl]propionic acid Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C26H35NO4/c1-25(2,3)20-15-19(16-21(23(20)30)26(4,5)6)24(31)27-14-13-18-9-7-17(8-10-18)11-12-22(28)29/h7-10,15-16,30H,11-14H2,1-6H3,(H,27,31)(H,28,29)