4-[[5-bromanyl-1-(phenylmethyl)pyrrol-3-yl]methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[[5-bromanyl-1-(phenylmethyl)pyrrol-3-yl]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[(1-benzyl-5-bromo-pyrrol-3-yl)methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[5-bromo-1-(phenylmethyl)-3-pyrrolyl]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[(1-benzyl-5-bromopyrrol-3-yl)methyl]-2,6-ditert-butylphenol Traditional Name: 4-[(1-benzyl-5-bromo-pyrrol-3-yl)methyl]-2,6-ditert-butyl-phenol Formula: C26H32BrNO MolecularWeight: 454.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C(=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C(=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C26H32BrNO/c1-25(2,3)21-13-19(14-22(24(21)29)26(4,5)6)12-20-15-23(27)28(17-20)16-18-10-8-7-9-11-18/h7-11,13-15,17,29H,12,16H2,1-6H3