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

Systemtic Name: (phenylmethyl) 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate Openeye Name: benzyl 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate CAS Name: 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate Traditional Name: 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylic acid benzyl ester Formula: C19H25F3NO5P MolecularWeight: 435.374471

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(CCC=CCN1C(=O)OCC2=CC=CC=C2)C(F)(F)F)OCC

Isomeric SMILES

CCOP(=O)(C1(CCC=CCN1C(=O)OCC2=CC=CC=C2)C(F)(F)F)OCC

InChI

InChI=1S/C19H25F3NO5P/c1-3-27-29(25,28-4-2)18(19(20,21)22)13-9-6-10-14-23(18)17(24)26-15-16-11-7-5-8-12-16/h5-8,10-12H,3-4,9,13-15H2,1-2H3