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

Systemtic Name: [2-[[anthracen-9-ylmethyl(5-oxidanylpentyl)amino]methyl]phenyl]boronic acid Openeye Name: [2-[[9-anthrylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid CAS Name: [2-[[9-anthracenylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid IUPAC Name: [2-[[anthracen-9-ylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid Traditional Name: [2-[[9-anthrylmethyl(5-hydroxypentyl)amino]methyl]phenyl]boronic acid Formula: C27H30BNO3 MolecularWeight: 427.343

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1CN(CCCCCO)CC2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O

Isomeric SMILES

B(C1=CC=CC=C1CN(CCCCCO)CC2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O

InChI

InChI=1S/C27H30BNO3/c30-17-9-1-8-16-29(19-23-12-4-7-15-27(23)28(31)32)20-26-24-13-5-2-10-21(24)18-22-11-3-6-14-25(22)26/h2-7,10-15,18,30-32H,1,8-9,16-17,19-20H2