1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-3-27-17-8-6-15(7-9-17)18(25)10-11-19(26)28-14(2)21-23-20(24-29-21)16-5-4-12-22-13-16/h4-9,12-14H,3,10-11H2,1-2H3