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

Systemtic Name: methyl (2S)-3-methyl-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)anilino]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]butanoate Traditional Name: (2S)-2-[[5-(4-keto-3H-phthalazin-1-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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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)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)C)C(=O)OC

InChI

InChI=1S/C22H24N4O4/c1-12(2)18(21(28)30-4)24-22(29)23-17-11-14(10-9-13(17)3)19-15-7-5-6-8-16(15)20(27)26-25-19/h5-12,18H,1-4H3,(H,26,27)(H2,23,24,29)/t18-/m0/s1