methyl 4-[3-[(5-butyl-6-oxidanylidene-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[3-[(5-butyl-6-oxidanylidene-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate Openeye Name: methyl 4-[3-[(5-butyl-6-oxo-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate CAS Name: 4-[3-[(5-butyl-6-oxo-1H-pyridazin-4-yl)amino]propoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(5-butyl-6-oxo-1H-pyridazin-4-yl)amino]propoxy]-3-propylbenzoate Traditional Name: 4-[3-[(5-butyl-6-keto-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=NNC1=O)NCCCOC2=C(C=C(C=C2)C(=O)OC)CCC

Isomeric SMILES

CCCCC1=C(C=NNC1=O)NCCCOC2=C(C=C(C=C2)C(=O)OC)CCC

InChI

InChI=1S/C22H31N3O4/c1-4-6-9-18-19(15-24-25-21(18)26)23-12-7-13-29-20-11-10-17(22(27)28-3)14-16(20)8-5-2/h10-11,14-15H,4-9,12-13H2,1-3H3,(H2,23,25,26)