methyl (2S)-2-(imidazol-1-ylcarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-(imidazol-1-ylcarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoate Openeye Name: methyl (2S)-2-(imidazole-1-carbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoate CAS Name: (2S)-2-[[1-imidazolyl(oxo)methyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(imidazole-1-carbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoate Traditional Name: (2S)-2-(imidazole-1-carbonylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid methyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)CC(C(=O)OC)NC(=O)N3C=CN=C3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)OC)NC(=O)N3C=CN=C3

InChI

InChI=1S/C20H21N5O5/c1-24-18(26)17(16(29-2)11-22-24)14-6-4-13(5-7-14)10-15(19(27)30-3)23-20(28)25-9-8-21-12-25/h4-9,11-12,15H,10H2,1-3H3,(H,23,28)/t15-/m0/s1