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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid

Inventory

CAS number:
1235865-77-6
Synonyms
Names:
A-1242668.0
Identifier:
IUPAC name
2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
Identifier:
other: Molecular formula
C33H35ClN4O3
4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid

Molecular and structural information

Molecular formula:
C33 H35 Cl N4 O3
Molecular weight:
571.11
SMILES notation:
ClC1=CC=C(C2=C(CN3CCN(C4=CC(OC5=CN=C(NC=C6)C6=C5)=C(C(O)=O)C=C4)CC3)CCC(C)(C)C2)C=C1
Structural formula:
Chemical structure

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