methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(4-keto-3H-phthalazin-1-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)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

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