3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(1-methylpyrrol-3-yl)propan-1-one

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(1-methylpyrrol-3-yl)propan-1-one Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(1-methylpyrrol-3-yl)propan-1-one CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-methyl-3-pyrrolyl)-1-propanone IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(1-methylpyrrol-3-yl)propan-1-one Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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