(phenylmethyl) 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H18ClNO2 MolecularWeight: 295.797267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCl)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

[2H]CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C([2H])([2H])[2H])CCCl

InChI

InChI=1S/C16H18ClNO2/c1-11-14(8-9-17)12(2)18-15(11)16(19)20-10-13-6-4-3-5-7-13/h3-7,18H,8-10H2,1-2H3/i1D3,2D