(E)-but-2-enedioic acid; ethyl 4-naphthalen-2-yl-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 4-naphthalen-2-yl-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(2-naphthyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2-naphthalenyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-naphthalen-2-yl-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: fumaric acid; 4-(2-naphthyl)-6-propyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=CNNC2=N1)C3=CC4=CC=CC=C4C=C3)C(=O)OCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C(C2=CNNC2=N1)C3=CC4=CC=CC=C4C=C3)C(=O)OCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H23N3O2.C4H4O4/c1-3-7-18-20(22(26)27-4-2)19(17-13-23-25-21(17)24-18)16-11-10-14-8-5-6-9-15(14)12-16;5-3(6)1-2-4(7)8/h5-6,8-13,19H,3-4,7H2,1-2H3,(H2,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+