2-(2-oxidanylideneazepan-3-yl)ethyl benzoate

Systemtic Name: 2-(2-oxidanylideneazepan-3-yl)ethyl benzoate Openeye Name: 2-(2-oxoazepan-3-yl)ethyl benzoate CAS Name: benzoic acid 2-(2-oxo-3-azepanyl)ethyl ester IUPAC Name: 2-(2-oxoazepan-3-yl)ethyl benzoate Traditional Name: benzoic acid 2-(2-ketoazepan-3-yl)ethyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)C(C1)CCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H19NO3/c17-14-12(6-4-5-10-16-14)9-11-19-15(18)13-7-2-1-3-8-13/h1-3,7-8,12H,4-6,9-11H2,(H,16,17)