5-[6-cyano-2-(4-methoxyphenyl)benzimidazol-1-yl]pentylboronic acid

Systemtic Name: 5-[6-cyano-2-(4-methoxyphenyl)benzimidazol-1-yl]pentylboronic acid Openeye Name: 5-[6-cyano-2-(4-methoxyphenyl)benzimidazol-1-yl]pentylboronic acid CAS Name: 5-[6-cyano-2-(4-methoxyphenyl)-1-benzimidazolyl]pentylboronic acid IUPAC Name: 5-[6-cyano-2-(4-methoxyphenyl)benzimidazol-1-yl]pentylboronic acid Traditional Name: 5-[6-cyano-2-(4-methoxyphenyl)benzimidazol-1-yl]pentylboronic acid Formula: C20H22BN3O3 MolecularWeight: 363.21798

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCN1C2=C(C=CC(=C2)C#N)N=C1C3=CC=C(C=C3)OC)(O)O

Isomeric SMILES

B(CCCCCN1C2=C(C=CC(=C2)C#N)N=C1C3=CC=C(C=C3)OC)(O)O

InChI

InChI=1S/C20H22BN3O3/c1-27-17-8-6-16(7-9-17)20-23-18-10-5-15(14-22)13-19(18)24(20)12-4-2-3-11-21(25)26/h5-10,13,25-26H,2-4,11-12H2,1H3