6-[[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]amino]hexyl (E)-3-azanylbut-2-enoate

Systemtic Name: 6-[[4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]amino]hexyl (E)-3-azanylbut-2-enoate Openeye Name: 6-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]hexyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 6-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]hexyl ester IUPAC Name: 6-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]hexyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 6-[4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)anilino]hexyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCCCCCNC1=CC=C(C=C1)C2=NNC(=O)CC2)N

Isomeric SMILES

C/C(=C\C(=O)OCCCCCCNC1=CC=C(C=C1)C2=NNC(=O)CC2)/N

InChI

InChI=1S/C20H28N4O3/c1-15(21)14-20(26)27-13-5-3-2-4-12-22-17-8-6-16(7-9-17)18-10-11-19(25)24-23-18/h6-9,14,22H,2-5,10-13,21H2,1H3,(H,24,25)/b15-14+