(E)-3-[6-[1-acetyloxy-1-(4-methylphenyl)prop-2-enyl]pyridin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-[1-acetyloxy-1-(4-methylphenyl)prop-2-enyl]pyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-[1-acetoxy-1-(p-tolyl)allyl]-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-[1-acetyloxy-1-(4-methylphenyl)prop-2-enyl]-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-[1-acetyloxy-1-(4-methylphenyl)prop-2-enyl]pyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-[1-acetoxy-1-(p-tolyl)allyl]-2-pyridyl]acrylic acid Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C=C)(C2=CC=CC(=N2)C=CC(=O)O)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C=C)(C2=CC=CC(=N2)/C=C/C(=O)O)OC(=O)C

InChI

InChI=1S/C20H19NO4/c1-4-20(25-15(3)22,16-10-8-14(2)9-11-16)18-7-5-6-17(21-18)12-13-19(23)24/h4-13H,1H2,2-3H3,(H,23,24)/b13-12+