(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-isopentyloxy-3-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)OC

InChI

InChI=1S/C23H25N3O2/c1-16(2)11-12-28-21-10-9-17(14-22(21)27-4)13-18(15-24)23-25-19-7-5-6-8-20(19)26(23)3/h5-10,13-14,16H,11-12H2,1-4H3/b18-13+