1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-3-yl]ethanone

Systemtic Name: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-3-yl]ethanone Openeye Name: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-3-yl]ethanone CAS Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-3-pyrrolyl]ethanone IUPAC Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-3-yl]ethanone Traditional Name: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-3-yl]ethanone Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)C

Isomeric SMILES

CCN1C=CC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)C

InChI

InChI=1S/C22H31NO2/c1-9-23-11-10-16(14(2)24)19(23)15-12-17(21(3,4)5)20(25)18(13-15)22(6,7)8/h10-13,25H,9H2,1-8H3