1-[(3-ethoxyphenyl)-pyridin-2-yl-methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-pyridin-2-yl-methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(2-pyridyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(2-pyridinyl)methyl]-7-(5-pyrimidinylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-pyridin-2-ylmethyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-[m-phenetyl(2-pyridyl)methyl]-7-(5-pyrimidylmethoxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CC=N2)N3C4=C(CCC5=C4C=CC(=C5)OCC6=CN=CN=C6)C(=N3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CC=N2)N3C4=C(CCC5=C4C=CC(=C5)OCC6=CN=CN=C6)C(=N3)C(=O)O

InChI

InChI=1S/C31H27N5O4/c1-2-39-23-7-5-6-22(15-23)29(27-8-3-4-13-34-27)36-30-25-12-10-24(40-18-20-16-32-19-33-17-20)14-21(25)9-11-26(30)28(35-36)31(37)38/h3-8,10,12-17,19,29H,2,9,11,18H2,1H3,(H,37,38)