methyl 2-methoxy-5-[[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 5-[[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H19N3O5/c1-27-17-8-7-12(9-15(17)20(26)28-2)11-21-18(24)10-16-13-5-3-4-6-14(13)19(25)23-22-16/h3-9H,10-11H2,1-2H3,(H,21,24)(H,23,25)