(E)-2-(1H-benzimidazol-2-yl)-3-[4-[(2S)-butan-2-yl]oxy-3-ethoxy-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(2S)-butan-2-yl]oxy-3-ethoxy-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-[(1S)-1-methylpropoxy]phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(2S)-butan-2-yl]oxy-3-ethoxyphenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(2S)-butan-2-yl]oxy-3-ethoxyphenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-[(1S)-1-methylpropoxy]phenyl]acrylonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC

Isomeric SMILES

CC[C@H](C)OC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C22H23N3O2/c1-4-15(3)27-20-11-10-16(13-21(20)26-5-2)12-17(14-23)22-24-18-8-6-7-9-19(18)25-22/h6-13,15H,4-5H2,1-3H3,(H,24,25)/b17-12+/t15-/m0/s1