2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylpyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylpyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxybenzoyl)pyrrol-1-yl]acetic acid Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-1-yl]acetic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-20(2,3)15-9-14(10-16(19(15)26)21(4,5)6)18(25)13-7-8-22(11-13)12-17(23)24/h7-11,26H,12H2,1-6H3,(H,23,24)