[2-[[acridin-9-ylmethyl(5-oxidanylpentyl)amino]methyl]phenyl]boronic acid

Systemtic Name: [2-[[acridin-9-ylmethyl(5-oxidanylpentyl)amino]methyl]phenyl]boronic acid Openeye Name: [2-[[acridin-9-ylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid CAS Name: [2-[[9-acridinylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid IUPAC Name: [2-[[acridin-9-ylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid Traditional Name: [2-[[acridin-9-ylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid Formula: C26H29BN2O3 MolecularWeight: 428.33106

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1CN(CCCCCO)CC2=C3C=CC=CC3=NC4=CC=CC=C42)(O)O

Isomeric SMILES

B(C1=CC=CC=C1CN(CCCCCO)CC2=C3C=CC=CC3=NC4=CC=CC=C42)(O)O

InChI

InChI=1S/C26H29BN2O3/c30-17-9-1-8-16-29(18-20-10-2-5-13-24(20)27(31)32)19-23-21-11-3-6-14-25(21)28-26-15-7-4-12-22(23)26/h2-7,10-15,30-32H,1,8-9,16-19H2