(E)-3-(2-piperidin-1-ylpyrimidin-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-piperidin-1-ylpyrimidin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-[2-(1-piperidyl)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-piperidinyl)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-(2-piperidin-1-ylpyrimidin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-piperidinopyrimidin-5-yl)acrylic acid Formula: C12H15N3O2 MolecularWeight: 233.2664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C12H15N3O2/c16-11(17)5-4-10-8-13-12(14-9-10)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2,(H,16,17)/b5-4+