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2-(2-azanylpropyl)-5-[2-(dihydroxyboranyl)ethyl]benzoic acid

2-(2-azanylpropyl)-5-[2-(dihydroxyboranyl)ethyl]benzoic acid

Systemtic Name:2-(2-azanylpropyl)-5-[2-(dihydroxyboranyl)ethyl]benzoic acid
Openeye Name:2-(2-aminopropyl)-5-(2-boronoethyl)benzoic acid
CAS Name:2-(2-aminopropyl)-5-(2-boronoethyl)benzoic acid
IUPAC Name:2-(2-aminopropyl)-5-(2-boronoethyl)benzoic acid
Traditional Name:2-(2-aminopropyl)-5-(2-boronoethyl)benzoic acid
Formula: C12H18BNO4
MolecularWeight: 251.08662
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Descriptors Computed from Structure

Canonical SMILES:

B(CCC1=CC(=C(C=C1)CC(C)N)C(=O)O)(O)O


Isomeric SMILES

B(CCC1=CC(=C(C=C1)CC(C)N)C(=O)O)(O)O


InChI

InChI=1S/C12H18BNO4/c1-8(14)6-10-3-2-9(4-5-13(17)18)7-11(10)12(15)16/h2-3,7-8,17-18H,4-6,14H2,1H3,(H,15,16)


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