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

Systemtic Name: 2-aminocarbonyl-3-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)phenyl]benzoic acid Openeye Name: 2-carbamoyl-3-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)phenyl]benzoic acid CAS Name: 2-carbamoyl-3-[4-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]benzoic acid IUPAC Name: 2-carbamoyl-3-[4-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]benzoic acid Traditional Name: 2-carbamoyl-3-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)phenyl]benzoic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C28H31NO4/c1-27(2,3)21-14-18(15-22(24(21)30)28(4,5)6)16-10-12-17(13-11-16)19-8-7-9-20(26(32)33)23(19)25(29)31/h7-15,30H,1-6H3,(H2,29,31)(H,32,33)