[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)CN3CCCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C18H21N3O4/c1-13-6-8-14(9-7-13)18-19-15(20-25-18)12-24-17(23)11-21-10-4-2-3-5-16(21)22/h6-9H,2-5,10-12H2,1H3