(3,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone

Systemtic Name: (3,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone Openeye Name: (3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone CAS Name: (3,4-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienyl)-(1-methyl-3-pyrrolyl)methanone IUPAC Name: (3,4-ditert-butyl-4-hydroxycyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone Traditional Name: (3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone Formula: C20H29NO2 MolecularWeight: 315.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(C=CC1(C(C)(C)C)O)C(=O)C2=CN(C=C2)C

Isomeric SMILES

CC(C)(C)C1=CC(C=CC1(C(C)(C)C)O)C(=O)C2=CN(C=C2)C

InChI

InChI=1S/C20H29NO2/c1-18(2,3)16-12-14(8-10-20(16,23)19(4,5)6)17(22)15-9-11-21(7)13-15/h8-14,23H,1-7H3