2-(5-methyl-4-oxidanylidene-3-phenyl-8-phenylmethoxy-pyridazino[4,5-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(5-methyl-4-oxidanylidene-3-phenyl-8-phenylmethoxy-pyridazino[4,5-b]indol-1-yl)ethanoic acid Openeye Name: 2-(8-benzyloxy-5-methyl-4-oxo-3-phenyl-pyridazino[4,5-b]indol-1-yl)acetic acid CAS Name: 2-(5-methyl-4-oxo-3-phenyl-8-phenylmethoxy-1-pyridazino[4,5-b]indolyl)acetic acid IUPAC Name: 2-(5-methyl-4-oxo-3-phenyl-8-phenylmethoxypyridazino[4,5-b]indol-1-yl)acetic acid Traditional Name: 2-(8-benzoxy-4-keto-5-methyl-3-phenyl-pyridazin[4,5-b]indol-1-yl)acetic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C4=C1C(=O)N(N=C4CC(=O)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C4=C1C(=O)N(N=C4CC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4/c1-28-22-13-12-19(33-16-17-8-4-2-5-9-17)14-20(22)24-21(15-23(30)31)27-29(26(32)25(24)28)18-10-6-3-7-11-18/h2-14H,15-16H2,1H3,(H,30,31)