3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H20N2O5/c1-3-27-17-9-13-8-12(2)28-18(13)10-14(17)11-23-20(24)16-7-5-4-6-15(16)19(22-23)21(25)26/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,25,26)