3-methylbutyl 4-(4-oxidanylidene-3H-phthalazin-1-yl)benzoate

Systemtic Name: 3-methylbutyl 4-(4-oxidanylidene-3H-phthalazin-1-yl)benzoate Openeye Name: isopentyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate CAS Name: 4-(4-oxo-3H-phthalazin-1-yl)benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate Traditional Name: 4-(4-keto-3H-phthalazin-1-yl)benzoic acid isoamyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H20N2O3/c1-13(2)11-12-25-20(24)15-9-7-14(8-10-15)18-16-5-3-4-6-17(16)19(23)22-21-18/h3-10,13H,11-12H2,1-2H3,(H,22,23)