3-(6-methoxypyridazin-3-yl)-5-oxidanylidene-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

Systemtic Name: 3-(6-methoxypyridazin-3-yl)-5-oxidanylidene-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Openeye Name: 3-(6-methoxypyridazin-3-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid CAS Name: 3-(6-methoxy-3-pyridazinyl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid IUPAC Name: 3-(6-methoxypyridazin-3-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Traditional Name: 5-keto-3-(6-methoxypyridazin-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pelargonic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C(CC(=O)CCCCC2=NC3=C(CCCN3)C=C2)CC(=O)O

Isomeric SMILES

COC1=NN=C(C=C1)C(CC(=O)CCCCC2=NC3=C(CCCN3)C=C2)CC(=O)O

InChI

InChI=1S/C22H28N4O4/c1-30-20-11-10-19(25-26-20)16(14-21(28)29)13-18(27)7-3-2-6-17-9-8-15-5-4-12-23-22(15)24-17/h8-11,16H,2-7,12-14H2,1H3,(H,23,24)(H,28,29)