[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate CAS Name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate Traditional Name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O5/c1-14(19(24)23-11-5-3-4-6-12-23)27-20(25)16-7-9-17(10-8-16)26-13-18-21-15(2)28-22-18/h7-10,14H,3-6,11-13H2,1-2H3