2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-3-(2-ethyl-1-benzimidazolyl)-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1C[C@@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C20H21N3O2/c1-2-20-22-18-5-3-4-6-19(18)23(20)13-16(24)14-25-17-9-7-15(8-10-17)11-12-21/h3-10,16,24H,2,11,13-14H2,1H3/t16-/m0/s1