3-[3-[3-tert-butyl-5-(pyridin-2-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-[3-tert-butyl-5-(pyridin-2-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-(pyridine-2-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[oxo(2-pyridinyl)methyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-(pyridine-2-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-(3-tert-butyl-5-picolinamido-pyrazol-1-yl)phenyl]propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC=N2)C3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC=N2)C3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C22H24N4O3/c1-22(2,3)18-14-19(24-21(29)17-9-4-5-12-23-17)26(25-18)16-8-6-7-15(13-16)10-11-20(27)28/h4-9,12-14H,10-11H2,1-3H3,(H,24,29)(H,27,28)