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

Systemtic Name: 3-[3-[3-tert-butyl-5-(isoquinolin-3-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-(isoquinoline-3-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[3-isoquinolinyl(oxo)methyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-(isoquinoline-3-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-(isoquinoline-3-carbonylamino)pyrazol-1-yl]phenyl]propionic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC(=C4)CCC(=O)O

InChI

InChI=1S/C26H26N4O3/c1-26(2,3)22-15-23(28-25(33)21-14-18-8-4-5-9-19(18)16-27-21)30(29-22)20-10-6-7-17(13-20)11-12-24(31)32/h4-10,13-16H,11-12H2,1-3H3,(H,28,33)(H,31,32)