methyl 3-(3,4-dimethoxyphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]propionic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=NNC(=O)C3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=NNC(=O)C3=CC=CC=C32)OC

InChI

InChI=1S/C21H21N3O6/c1-28-16-9-8-12(10-17(16)29-2)15(11-18(25)30-3)22-21(27)19-13-6-4-5-7-14(13)20(26)24-23-19/h4-10,15H,11H2,1-3H3,(H,22,27)(H,24,26)