2-pyrimidin-5-yl-3-[4-(quinolin-2-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: 2-pyrimidin-5-yl-3-[4-(quinolin-2-ylcarbonylamino)phenyl]propanoic acid Openeye Name: 2-pyrimidin-5-yl-3-[4-(quinoline-2-carbonylamino)phenyl]propanoic acid CAS Name: 3-[4-[[oxo(2-quinolinyl)methyl]amino]phenyl]-2-(5-pyrimidinyl)propanoic acid IUPAC Name: 2-pyrimidin-5-yl-3-[4-(quinoline-2-carbonylamino)phenyl]propanoic acid Traditional Name: 2-(5-pyrimidyl)-3-[4-(quinaldoylamino)phenyl]propionic acid Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=C(C=C3)CC(C4=CN=CN=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=C(C=C3)CC(C4=CN=CN=C4)C(=O)O

InChI

InChI=1S/C23H18N4O3/c28-22(21-10-7-16-3-1-2-4-20(16)27-21)26-18-8-5-15(6-9-18)11-19(23(29)30)17-12-24-14-25-13-17/h1-10,12-14,19H,11H2,(H,26,28)(H,29,30)