2-(7-oxidanylideneazepan-2-yl)ethyl benzoate

Systemtic Name: 2-(7-oxidanylideneazepan-2-yl)ethyl benzoate Openeye Name: 2-(7-oxoazepan-2-yl)ethyl benzoate CAS Name: benzoic acid 2-(7-oxo-2-azepanyl)ethyl ester IUPAC Name: 2-(7-oxoazepan-2-yl)ethyl benzoate Traditional Name: benzoic acid 2-(7-ketoazepan-2-yl)ethyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)NC(C1)CCOC(=O)C2=CC=CC=C2

InChI

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