diethyl 2-[(3-tridec-1-ynylpyridin-4-yl)methylidene]propanedioate

Systemtic Name: diethyl 2-[(3-tridec-1-ynylpyridin-4-yl)methylidene]propanedioate Openeye Name: diethyl 2-[(3-tridec-1-ynyl-4-pyridyl)methylene]propanedioate CAS Name: 2-[(3-tridec-1-ynyl-4-pyridinyl)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-tridec-1-ynylpyridin-4-yl)methylidene]propanedioate Traditional Name: 2-[(3-tridec-1-ynyl-4-pyridyl)methylene]malonic acid diethyl ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=C(C=CN=C1)C=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC#CC1=C(C=CN=C1)C=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C26H37NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-23-21-27-19-18-22(23)20-24(25(28)30-5-2)26(29)31-6-3/h18-21H,4-15H2,1-3H3