1-[(3-hydroxyphenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

Systemtic Name: 1-[(3-hydroxyphenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-[(3-hydroxyphenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-[(3-hydroxyphenyl)methyl]-7-(5-pyrimidinylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-[(3-hydroxyphenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-(3-hydroxybenzyl)-7-(5-pyrimidylmethoxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=C(C=C3)OCC4=CN=CN=C4)N(N=C2C(=O)O)CC5=CC(=CC=C5)O

Isomeric SMILES

C1CC2=C(C3=C1C=C(C=C3)OCC4=CN=CN=C4)N(N=C2C(=O)O)CC5=CC(=CC=C5)O

InChI

InChI=1S/C24H20N4O4/c29-18-3-1-2-15(8-18)12-28-23-20-7-5-19(32-13-16-10-25-14-26-11-16)9-17(20)4-6-21(23)22(27-28)24(30)31/h1-3,5,7-11,14,29H,4,6,12-13H2,(H,30,31)