2-[(3-tridec-1-ynylpyridin-4-yl)methylidene]propanedioic acid

Systemtic Name: 2-[(3-tridec-1-ynylpyridin-4-yl)methylidene]propanedioic acid Openeye Name: 2-[(3-tridec-1-ynyl-4-pyridyl)methylene]propanedioic acid CAS Name: 2-[(3-tridec-1-ynyl-4-pyridinyl)methylidene]propanedioic acid IUPAC Name: 2-[(3-tridec-1-ynylpyridin-4-yl)methylidene]propanedioic acid Traditional Name: 2-[(3-tridec-1-ynyl-4-pyridyl)methylene]malonic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-17-23-15-14-18(19)16-20(21(24)25)22(26)27/h14-17H,2-11H2,1H3,(H,24,25)(H,26,27)