(E)-3-[2-[(4-ethylphenyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[(4-ethylphenyl)amino]pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(4-ethylanilino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-ethylanilino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-ethylanilino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-ethylanilino)pyrimidin-5-yl]acrylic acid Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C15H15N3O2/c1-2-11-3-6-13(7-4-11)18-15-16-9-12(10-17-15)5-8-14(19)20/h3-10H,2H2,1H3,(H,19,20)(H,16,17,18)/b8-5+