1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3,4,5-triethoxybenzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3,4,5-triethoxybenzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(C)C2=NC(=NO2)C3=CN=CC=C3

InChI

InChI=1S/C22H25N3O6/c1-5-27-17-11-16(12-18(28-6-2)19(17)29-7-3)22(26)30-14(4)21-24-20(25-31-21)15-9-8-10-23-13-15/h8-14H,5-7H2,1-4H3