(4-methoxycarbonylphenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

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