ethyl 2-[4-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate

Systemtic Name: ethyl 2-[4-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate Openeye Name: ethyl 2-[4-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]butanoylamino]benzoate CAS Name: 2-[[4-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate Traditional Name: 2-[4-(6-keto-3-p-phenetyl-pyridazin-1-yl)butanoylamino]benzoic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3C(=O)OCC

InChI

InChI=1S/C25H27N3O5/c1-3-32-19-13-11-18(12-14-19)21-15-16-24(30)28(27-21)17-7-10-23(29)26-22-9-6-5-8-20(22)25(31)33-4-2/h5-6,8-9,11-16H,3-4,7,10,17H2,1-2H3,(H,26,29)