4-[(2S)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-[2-(hydroxymethyl)benzimidazol-1-yl]propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-[2-(hydroxymethyl)-1-benzimidazolyl]propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-[2-(hydroxymethyl)benzimidazol-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(2-methylolbenzimidazol-1-yl)propoxy]benzonitrile Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(COC3=CC=C(C=C3)C#N)O)CO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C[C@@H](COC3=CC=C(C=C3)C#N)O)CO

InChI

InChI=1S/C18H17N3O3/c19-9-13-5-7-15(8-6-13)24-12-14(23)10-21-17-4-2-1-3-16(17)20-18(21)11-22/h1-8,14,22-23H,10-12H2/t14-/m0/s1