(phenylmethyl) 7-dimethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-dimethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate Openeye Name: benzyl 7-dimethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate CAS Name: 7-dimethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-dimethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate Traditional Name: 7-dimethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylic acid benzyl ester Formula: C17H21F3NO5P MolecularWeight: 407.321311

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C1(CCC=CCN1C(=O)OCC2=CC=CC=C2)C(F)(F)F)OC

Isomeric SMILES

COP(=O)(C1(CCC=CCN1C(=O)OCC2=CC=CC=C2)C(F)(F)F)OC

InChI

InChI=1S/C17H21F3NO5P/c1-24-27(23,25-2)16(17(18,19)20)11-7-4-8-12-21(16)15(22)26-13-14-9-5-3-6-10-14/h3-6,8-10H,7,11-13H2,1-2H3