(E)-3-(2-phenethylpyrimidin-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-phenethylpyrimidin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-phenethylpyrimidin-5-yl)prop-2-enoic acid CAS Name: (E)-3-(2-phenethyl-5-pyrimidinyl)-2-propenoic acid IUPAC Name: (E)-3-(2-phenethylpyrimidin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-phenethylpyrimidin-5-yl)acrylic acid Formula: C15H14N2O2 MolecularWeight: 254.28386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C15H14N2O2/c18-15(19)9-7-13-10-16-14(17-11-13)8-6-12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H,18,19)/b9-7+