(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H22N2O5/c1-3-27-19-9-14-8-13(2)29-20(14)10-15(19)12-28-21(25)11-18-16-6-4-5-7-17(16)22(26)24-23-18/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,24,26)