[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-methoxybenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-methoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO4/c1-20-14-8-6-13(7-9-14)16(19)21-12-15(18)17-10-4-2-3-5-11-17/h6-9H,2-5,10-12H2,1H3