1-(5-chloranyl-1H-pyrrol-3-yl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propan-1-one

Systemtic Name: 1-(5-chloranyl-1H-pyrrol-3-yl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propan-1-one Openeye Name: 1-(5-chloro-1H-pyrrol-3-yl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one CAS Name: 1-(5-chloro-1H-pyrrol-3-yl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-propanone IUPAC Name: 1-(5-chloro-1H-pyrrol-3-yl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one Traditional Name: 1-(5-chloro-1H-pyrrol-3-yl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one 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)CCC(=O)C2=CNC(=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CNC(=C2)Cl

InChI

InChI=1S/C21H28ClNO2/c1-20(2,3)15-9-13(10-16(19(15)25)21(4,5)6)7-8-17(24)14-11-18(22)23-12-14/h9-12,23,25H,7-8H2,1-6H3