(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-[(2-methyl-1H-indol-3-yl)carbonyl]prop-2-enenitrile

Systemtic Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-[(2-methyl-1H-indol-3-yl)carbonyl]prop-2-enenitrile Openeye Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-(2-methyl-1H-indole-3-carbonyl)acrylonitrile Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)C2=C(NC3=CC=CC=C32)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C2=C(NC3=CC=CC=C32)C)OCC

InChI

InChI=1S/C25H26N2O3/c1-4-6-13-30-22-12-11-18(15-23(22)29-5-2)14-19(16-26)25(28)24-17(3)27-21-10-8-7-9-20(21)24/h7-12,14-15,27H,4-6,13H2,1-3H3/b19-14+