methyl (2S)-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoate

Systemtic Name: methyl (2S)-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoate CAS Name: (2S)-2-[[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)anilino]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoate Traditional Name: (2S)-2-[[5-(4-keto-3H-phthalazin-1-yl)-2-methyl-phenyl]carbamoylamino]propionic acid methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)NC(C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)N[C@@H](C)C(=O)OC

InChI

InChI=1S/C20H20N4O4/c1-11-8-9-13(10-16(11)22-20(27)21-12(2)19(26)28-3)17-14-6-4-5-7-15(14)18(25)24-23-17/h4-10,12H,1-3H3,(H,24,25)(H2,21,22,27)/t12-/m0/s1