ethyl 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate

Systemtic Name: ethyl 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-oxidanylidene-1H-pyridazin-3-yl)benzoate Openeye Name: ethyl 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoate CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-oxo-1H-pyridazin-3-yl)benzoate Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-keto-1H-pyridazin-3-yl)benzoic acid ethyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C2=NNC(=O)C=C2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C2=NNC(=O)C=C2

InChI

InChI=1S/C20H27N3O5/c1-5-27-19(26)13-6-8-17(28-12-14(24)11-21-20(2,3)4)15(10-13)16-7-9-18(25)23-22-16/h6-10,14,21,24H,5,11-12H2,1-4H3,(H,23,25)