(E)-but-2-enedioic acid; 2-methyl-4-(3-methylbutoxy)-6-phenyl-pyrazolo[3,4-b]pyridine

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-4-(3-methylbutoxy)-6-phenyl-pyrazolo[3,4-b]pyridine Openeye Name: fumaric acid; 4-isopentyloxy-2-methyl-6-phenyl-pyrazolo[3,4-b]pyridine CAS Name: (E)-2-butenedioic acid; 2-methyl-4-(3-methylbutoxy)-6-phenylpyrazolo[3,4-b]pyridine IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-4-(3-methylbutoxy)-6-phenylpyrazolo[3,4-b]pyridine Traditional Name: fumaric acid; 4-isoamoxy-2-methyl-6-phenyl-pyrazolo[3,4-b]pyridine Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC(=NC2=NN(C=C12)C)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC(=NC2=NN(C=C12)C)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21N3O.C4H4O4/c1-13(2)9-10-22-17-11-16(14-7-5-4-6-8-14)19-18-15(17)12-21(3)20-18;5-3(6)1-2-4(7)8/h4-8,11-13H,9-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+