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

Systemtic Name: 1-[(3-methylphenyl)-phenyl-methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-[m-tolyl(phenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-phenylmethyl]-7-(5-pyrimidinylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-[(3-methylphenyl)-phenylmethyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-[m-tolyl(phenyl)methyl]-7-(5-pyrimidylmethoxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C31H26N4O3 MolecularWeight: 502.56314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C31H26N4O3/c1-20-6-5-9-24(14-20)29(22-7-3-2-4-8-22)35-30-26-13-11-25(38-18-21-16-32-19-33-17-21)15-23(26)10-12-27(30)28(34-35)31(36)37/h2-9,11,13-17,19,29H,10,12,18H2,1H3,(H,36,37)