3-[3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]propanoic acid

Systemtic Name: 3-[3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]propanoic acid Openeye Name: 3-[3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]propanoic acid CAS Name: 3-[3-[[4-(3-methyl-1-phenyl-4-pyrazolyl)-2-pyrimidinyl]amino]phenyl]propanoic acid IUPAC Name: 3-[3-[[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]propanoic acid Traditional Name: 3-[3-[[4-(3-methyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]propionic acid Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2/c1-16-20(15-28(27-16)19-8-3-2-4-9-19)21-12-13-24-23(26-21)25-18-7-5-6-17(14-18)10-11-22(29)30/h2-9,12-15H,10-11H2,1H3,(H,29,30)(H,24,25,26)