(E)-2-(1H-benzimidazol-2-yl)-3-[2-[(2S)-butan-2-yl]oxyphenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(2S)-butan-2-yl]oxyphenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(1S)-1-methylpropoxy]phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(2S)-butan-2-yl]oxyphenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(2S)-butan-2-yl]oxyphenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(1S)-1-methylpropoxy]phenyl]acrylonitrile Formula: C20H19N3O MolecularWeight: 317.38436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC=C1C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O/c1-3-14(2)24-19-11-7-4-8-15(19)12-16(13-21)20-22-17-9-5-6-10-18(17)23-20/h4-12,14H,3H2,1-2H3,(H,22,23)/b16-12+/t14-/m0/s1