(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-propargyloxy-phenyl)-2-o-toluoyl-acrylonitrile Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2C)OCC#C

InChI

InChI=1S/C22H19NO3/c1-4-12-26-20-11-10-17(14-21(20)25-5-2)13-18(15-23)22(24)19-9-7-6-8-16(19)3/h1,6-11,13-14H,5,12H2,2-3H3/b18-13+