(E)-3-(4-hexoxy-3-methoxy-phenyl)-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hexoxy-3-methoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-hexoxy-3-methoxy-phenyl)-2-(morpholine-4-carbonyl)acrylonitrile Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)N2CCOCC2)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OC

InChI

InChI=1S/C21H28N2O4/c1-3-4-5-6-11-27-19-8-7-17(15-20(19)25-2)14-18(16-22)21(24)23-9-12-26-13-10-23/h7-8,14-15H,3-6,9-13H2,1-2H3/b18-14+