4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]benzoic acid Openeye Name: 4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3,5-ditert-butyl-4-hydroxy-benzyl)amino]benzoic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H29NO3/c1-21(2,3)17-11-14(12-18(19(17)24)22(4,5)6)13-23-16-9-7-15(8-10-16)20(25)26/h7-12,23-24H,13H2,1-6H3,(H,25,26)