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

Systemtic Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(2S)-butan-2-yl]oxy-3-methoxy-phenyl]prop-2-enenitrile Openeye Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]prop-2-enenitrile CAS Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-2-propenenitrile IUPAC Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]prop-2-enenitrile Traditional Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c1-4-14(2)26-19-10-9-15(12-20(19)25-3)11-16(13-22)21-23-17-7-5-6-8-18(17)24-21/h5-12,14H,4H2,1-3H3,(H,23,24)/b16-11-/t14-/m0/s1