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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C13H17N3O2/c1-10-3-2-6-16(9-10)13-14-7-11(8-15-13)4-5-12(17)18/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)/b5-4+/t10-/m0/s1