(2-oxidanylideneazepan-3-yl) 2,4,6-trimethylbenzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2,4,6-trimethylbenzoate Openeye Name: (2-oxoazepan-3-yl) 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid (2-ketoazepan-3-yl) ester Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC2CCCCNC2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OC2CCCCNC2=O)C

InChI

InChI=1S/C16H21NO3/c1-10-8-11(2)14(12(3)9-10)16(19)20-13-6-4-5-7-17-15(13)18/h8-9,13H,4-7H2,1-3H3,(H,17,18)