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

Systemtic Name: [5-bromanyl-1-(phenylmethyl)pyrrol-3-yl]-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone Openeye Name: (1-benzyl-5-bromo-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: [5-bromo-1-(phenylmethyl)-3-pyrrolyl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone IUPAC Name: (1-benzyl-5-bromopyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: (1-benzyl-5-bromo-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C26H30BrNO2 MolecularWeight: 468.4259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrNO2/c1-25(2,3)20-12-18(13-21(24(20)30)26(4,5)6)23(29)19-14-22(27)28(16-19)15-17-10-8-7-9-11-17/h7-14,16,30H,15H2,1-6H3