[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H23NO3 MolecularWeight: 289.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H23NO3/c1-13-7-8-14(2)15(11-13)17(20)21-12-16(19)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3