Benzyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamido)benzoate

HCID 57856434
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Basic information

Standard SMILES
CC1(C)OB(c2cccc(C(=O)Nc3ccc(C(=O)OCc4ccccc4)cc3)c2)OC1(C)C
InChIKey
HGARLRQULQRPEY-UHFFFAOYSA-N
Molecular formula
C27H28BNO5
Average molar mass
457.3 g/mol

Names & identifiers

Preferred name
Benzyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamido)benzoate
IUPAC
benzyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]amino]benzoate

Names & synonyms

benzyl 4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamido)benzoate1181329-12-3SCHEMBL3802569HGARLRQULQRPEY-UHFFFAOYSA-NDA-35079

Database identifiers

PubChem CID
57856434

Properties

Computed structural properties

Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
34

Related reactions

2 records
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Compound notes

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