(Z)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-pyridin-2-yl-prop-2-enenitrile

Systemtic Name: (Z)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-pyridin-2-yl-prop-2-enenitrile Openeye Name: (Z)-3-(3-ethoxy-4-isobutoxy-phenyl)-2-(2-pyridyl)prop-2-enenitrile CAS Name: (Z)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-(2-pyridinyl)-2-propenenitrile IUPAC Name: (Z)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile Traditional Name: (Z)-3-(3-ethoxy-4-isobutoxy-phenyl)-2-(2-pyridyl)acrylonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=N2)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OCC(C)C

InChI

InChI=1S/C20H22N2O2/c1-4-23-20-12-16(8-9-19(20)24-14-15(2)3)11-17(13-21)18-7-5-6-10-22-18/h5-12,15H,4,14H2,1-3H3/b17-11+