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

Systemtic Name: 3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylpyrrol-1-yl]propanoic acid Openeye Name: 3-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-1-yl]propanoic acid CAS Name: 3-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-pyrrolyl]propanoic acid IUPAC Name: 3-[3-(3,5-ditert-butyl-4-hydroxybenzoyl)pyrrol-1-yl]propanoic acid Traditional Name: 3-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)pyrrol-1-yl]propionic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-21(2,3)16-11-15(12-17(20(16)27)22(4,5)6)19(26)14-7-9-23(13-14)10-8-18(24)25/h7,9,11-13,27H,8,10H2,1-6H3,(H,24,25)