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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-7-(5-pyrimidinylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-m-anisyl-7-(5-pyrimidylmethoxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=C(CCC4=C3C=CC(=C4)OCC5=CN=CN=C5)C(=N2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=C(CCC4=C3C=CC(=C4)OCC5=CN=CN=C5)C(=N2)C(=O)O

InChI

InChI=1S/C25H22N4O4/c1-32-19-4-2-3-16(9-19)13-29-24-21-8-6-20(33-14-17-11-26-15-27-12-17)10-18(21)5-7-22(24)23(28-29)25(30)31/h2-4,6,8-12,15H,5,7,13-14H2,1H3,(H,30,31)