O7-methyl O1-(phenylmethyl) 7-(trifluoromethyl)-3,6-dihydro-2H-azepine-1,7-dicarboxylate

Systemtic Name: O7-methyl O1-(phenylmethyl) 7-(trifluoromethyl)-3,6-dihydro-2H-azepine-1,7-dicarboxylate Openeye Name: O1-benzyl O7-methyl 7-(trifluoromethyl)-3,6-dihydro-2H-azepine-1,7-dicarboxylate CAS Name: 7-(trifluoromethyl)-3,6-dihydro-2H-azepine-1,7-dicarboxylic acid O7-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 7-O-methyl 7-(trifluoromethyl)-3,6-dihydro-2H-azepine-1,7-dicarboxylate Traditional Name: 7-(trifluoromethyl)-3,6-dihydro-2H-azepine-1,7-dicarboxylic acid O1-benzyl ester O7-methyl ester Formula: C17H18F3NO4 MolecularWeight: 357.32433

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC=CCCN1C(=O)OCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1(CC=CCCN1C(=O)OCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3NO4/c1-24-14(22)16(17(18,19)20)10-6-3-7-11-21(16)15(23)25-12-13-8-4-2-5-9-13/h2-6,8-9H,7,10-12H2,1H3