1-[1-(3-ethoxyphenyl)propyl]-7-pyrimidin-5-yloxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

Systemtic Name: 1-[1-(3-ethoxyphenyl)propyl]-7-pyrimidin-5-yloxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-[1-(3-ethoxyphenyl)propyl]-7-pyrimidin-5-yloxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-[1-(3-ethoxyphenyl)propyl]-7-(5-pyrimidinyloxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-[1-(3-ethoxyphenyl)propyl]-7-pyrimidin-5-yloxy-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-(1-m-phenetylpropyl)-7-(5-pyrimidyloxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)OCC)N2C3=C(CCC4=C3C=CC(=C4)OC5=CN=CN=C5)C(=N2)C(=O)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)OCC)N2C3=C(CCC4=C3C=CC(=C4)OC5=CN=CN=C5)C(=N2)C(=O)O

InChI

InChI=1S/C27H26N4O4/c1-3-24(18-6-5-7-19(13-18)34-4-2)31-26-22-11-9-20(35-21-14-28-16-29-15-21)12-17(22)8-10-23(26)25(30-31)27(32)33/h5-7,9,11-16,24H,3-4,8,10H2,1-2H3,(H,32,33)