hexyl 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate

Systemtic Name: hexyl 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate Openeye Name: hexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid hexyl ester IUPAC Name: hexyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)propionic acid hexyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCCCCCOC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H22N2O4/c1-2-3-4-7-12-23-15(20)10-11-19-17(22)14-9-6-5-8-13(14)16(21)18-19/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,18,21)