(E)-3-(6-phenethylpyrimidin-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-phenethylpyrimidin-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-phenethylpyrimidin-4-yl)prop-2-enoic acid CAS Name: (E)-3-(6-phenethyl-4-pyrimidinyl)-2-propenoic acid IUPAC Name: (E)-3-(6-phenethylpyrimidin-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-phenethylpyrimidin-4-yl)acrylic acid Formula: C15H14N2O2 MolecularWeight: 254.28386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC=NC(=C2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC=NC(=C2)/C=C/C(=O)O

InChI

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