5-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-4-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-4-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxo-pyridazin-4-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxo-4-pyridazinyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxopyridazin-4-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-carbethoxy-1-(4-fluorophenyl)-6-keto-pyridazin-4-yl]amino]-5-keto-valeric acid Formula: C18H18FN3O6 MolecularWeight: 391.350423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCCC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CCCC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FN3O6/c1-2-28-18(27)17-13(20-14(23)4-3-5-16(25)26)10-15(24)22(21-17)12-8-6-11(19)7-9-12/h6-10H,2-5H2,1H3,(H,20,23)(H,25,26)