(E)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(4-methyl-1-piperidyl)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-methyl-1-piperidinyl)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-methylpiperidino)pyrimidin-5-yl]acrylic acid Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C13H17N3O2/c1-10-4-6-16(7-5-10)13-14-8-11(9-15-13)2-3-12(17)18/h2-3,8-10H,4-7H2,1H3,(H,17,18)/b3-2+