1-(5-chloranyl-1-methyl-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 1-(5-chloranyl-1-methyl-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 1-(5-chloro-1-methyl-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 1-(5-chloro-1-methyl-3-pyrrolyl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 1-(5-chloro-1-methylpyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 1-(5-chloro-1-methyl-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C21H28ClNO2 MolecularWeight: 361.90552

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-20(2,3)15-8-13(9-16(19(15)25)21(4,5)6)10-17(24)14-11-18(22)23(7)12-14/h8-9,11-12,25H,10H2,1-7H3