[2-[3-azanyl-1-[(4-methoxyphenyl)-methyl-amino]propyl]phenyl]boronic acid

Systemtic Name: [2-[3-azanyl-1-[(4-methoxyphenyl)-methyl-amino]propyl]phenyl]boronic acid Openeye Name: [2-[3-amino-1-(4-methoxy-N-methyl-anilino)propyl]phenyl]boronic acid CAS Name: [2-[3-amino-1-(4-methoxy-N-methylanilino)propyl]phenyl]boronic acid IUPAC Name: [2-[3-amino-1-(4-methoxy-N-methylanilino)propyl]phenyl]boronic acid Traditional Name: [2-[3-amino-1-(4-methoxy-N-methyl-anilino)propyl]phenyl]boronic acid Formula: C17H23BN2O3 MolecularWeight: 314.18712

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1C(CCN)N(C)C2=CC=C(C=C2)OC)(O)O

Isomeric SMILES

B(C1=CC=CC=C1C(CCN)N(C)C2=CC=C(C=C2)OC)(O)O

InChI

InChI=1S/C17H23BN2O3/c1-20(13-7-9-14(23-2)10-8-13)17(11-12-19)15-5-3-4-6-16(15)18(21)22/h3-10,17,21-22H,11-12,19H2,1-2H3