[5-(benzimidazol-1-yl)-2-(2-cyano-4-methoxy-phenyl)pentyl]boronic acid

Systemtic Name: [5-(benzimidazol-1-yl)-2-(2-cyano-4-methoxy-phenyl)pentyl]boronic acid Openeye Name: [5-(benzimidazol-1-yl)-2-(2-cyano-4-methoxy-phenyl)pentyl]boronic acid CAS Name: [5-(1-benzimidazolyl)-2-(2-cyano-4-methoxyphenyl)pentyl]boronic acid IUPAC Name: [5-(benzimidazol-1-yl)-2-(2-cyano-4-methoxyphenyl)pentyl]boronic acid Traditional Name: [5-(benzimidazol-1-yl)-2-(2-cyano-4-methoxy-phenyl)pentyl]boronic acid Formula: C20H22BN3O3 MolecularWeight: 363.21798

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Descriptors Computed from Structure

Canonical SMILES:

B(CC(CCCN1C=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)C#N)(O)O

Isomeric SMILES

B(CC(CCCN1C=NC2=CC=CC=C21)C3=C(C=C(C=C3)OC)C#N)(O)O

InChI

InChI=1S/C20H22BN3O3/c1-27-17-8-9-18(16(11-17)13-22)15(12-21(25)26)5-4-10-24-14-23-19-6-2-3-7-20(19)24/h2-3,6-9,11,14-15,25-26H,4-5,10,12H2,1H3