methyl 2-[2-(7-oxidanylideneazepan-2-yl)ethyl]benzoate

Systemtic Name: methyl 2-[2-(7-oxidanylideneazepan-2-yl)ethyl]benzoate Openeye Name: methyl 2-[2-(7-oxoazepan-2-yl)ethyl]benzoate CAS Name: 2-[2-(7-oxo-2-azepanyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(7-oxoazepan-2-yl)ethyl]benzoate Traditional Name: 2-[2-(7-ketoazepan-2-yl)ethyl]benzoic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CCC2CCCCC(=O)N2

Isomeric SMILES

COC(=O)C1=CC=CC=C1CCC2CCCCC(=O)N2

InChI

InChI=1S/C16H21NO3/c1-20-16(19)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(18)17-13/h2,4,6,8,13H,3,5,7,9-11H2,1H3,(H,17,18)