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

Systemtic Name: methyl (2S)-2-azanyl-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)CC(C(=O)OC)N

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)OC)N

InChI

InChI=1S/C16H19N3O4/c1-19-15(20)14(13(22-2)9-18-19)11-6-4-10(5-7-11)8-12(17)16(21)23-3/h4-7,9,12H,8,17H2,1-3H3/t12-/m0/s1