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

Systemtic Name: 1-[(3-ethoxyphenyl)-phenyl-methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-phenyl-methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-phenylmethyl]-7-(5-pyrimidinylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-phenylmethyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-[m-phenetyl(phenyl)methyl]-7-(5-pyrimidylmethoxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C32H28N4O4 MolecularWeight: 532.58912

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H28N4O4/c1-2-39-25-10-6-9-24(16-25)30(22-7-4-3-5-8-22)36-31-27-14-12-26(40-19-21-17-33-20-34-18-21)15-23(27)11-13-28(31)29(35-36)32(37)38/h3-10,12,14-18,20,30H,2,11,13,19H2,1H3,(H,37,38)