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

Systemtic Name: 3-[3-[3-tert-butyl-5-(isoquinolin-1-ylcarbonylamino)pyrazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[3-[3-tert-butyl-5-(isoquinoline-1-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid CAS Name: 3-[3-[3-tert-butyl-5-[[1-isoquinolinyl(oxo)methyl]amino]-1-pyrazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-[3-tert-butyl-5-(isoquinoline-1-carbonylamino)pyrazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[3-[3-tert-butyl-5-(isoquinoline-1-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=NC=CC3=CC=CC=C32)C4=CC=CC(=C4)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=NC=CC3=CC=CC=C32)C4=CC=CC(=C4)CCC(=O)O

InChI

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