[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate CAS Name: 4-(1,3,4-oxadiazol-2-yl)benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate Traditional Name: 4-(1,3,4-oxadiazol-2-yl)benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C2=CC=C(C=C2)C3=NN=CO3

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)C2=CC=C(C=C2)C3=NN=CO3

InChI

InChI=1S/C18H21N3O4/c22-16(21-10-4-2-1-3-5-11-21)12-24-18(23)15-8-6-14(7-9-15)17-20-19-13-25-17/h6-9,13H,1-5,10-12H2