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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzylpyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzylpyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 1-(1-benzylpyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H33NO2/c1-26(2,3)22-14-20(15-23(25(22)30)27(4,5)6)16-24(29)21-12-13-28(18-21)17-19-10-8-7-9-11-19/h7-15,18,30H,16-17H2,1-6H3