methyl (2R)-3-(1H-indol-3-yl)-2-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(1-ketophthalazin-2-yl)acetyl]amino]propionic acid methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H20N4O4/c1-30-22(29)19(10-15-11-23-18-9-5-4-7-16(15)18)25-20(27)13-26-21(28)17-8-3-2-6-14(17)12-24-26/h2-9,11-12,19,23H,10,13H2,1H3,(H,25,27)/t19-/m1/s1