(E)-3-(3-tridec-1-ynylpyridin-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-tridec-1-ynylpyridin-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-tridec-1-ynyl-4-pyridyl)prop-2-enoic acid CAS Name: (E)-3-(3-tridec-1-ynyl-4-pyridinyl)-2-propenoic acid IUPAC Name: (E)-3-(3-tridec-1-ynylpyridin-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-tridec-1-ynyl-4-pyridyl)acrylic acid Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-18-22-17-16-19(20)14-15-21(23)24/h14-18H,2-11H2,1H3,(H,23,24)/b15-14+