3-(4-fluoranylphenoxy)propyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: 3-(4-fluorophenoxy)propyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid 3-(4-fluorophenoxy)propyl ester Formula: C18H15FN2O4 MolecularWeight: 342.321103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O4/c19-12-6-8-13(9-7-12)24-10-3-11-25-18(23)16-14-4-1-2-5-15(14)17(22)21-20-16/h1-2,4-9H,3,10-11H2,(H,21,22)