sodium (E)-7-[2-(4-fluorophenyl)-4-propan-2-yl-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E)-7-[2-(4-fluorophenyl)-4-propan-2-yl-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E)-7-[2-(4-fluorophenyl)-4-isopropyl-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E)-7-[2-(4-fluorophenyl)-4-propan-2-yl-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E)-7-[2-(4-fluorophenyl)-4-propan-2-yl-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E)-7-[2-(4-fluorophenyl)-4-isopropyl-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-3,5-dihydroxy-hept-6-enoate Formula: C23H26FN2NaO4 MolecularWeight: 436.451713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(NN2C1=CC=C2)C3=CC=C(C=C3)F)C=CC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C(NN2C1=CC=C2)C3=CC=C(C=C3)F)/C=C/C(CC(CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C23H27FN2O4.Na/c1-14(2)22-19(10-9-17(27)12-18(28)13-21(29)30)23(15-5-7-16(24)8-6-15)25-26-11-3-4-20(22)26;/h3-11,14,17-18,23,25,27-28H,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/b10-9+;