(phenylmethyl) 4-ethyl-5-[[5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-[2,2,2-tris(chloranyl)ethanoyl]-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-5-[[5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-[2,2,2-tris(chloranyl)ethanoyl]-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[[5-[(5-benzyloxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-5-[[5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-(2,2,2-trichloro-1-oxoethyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-5-[[5-[(3-ethyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[[5-[(5-carbobenzoxy-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-3-methyl-4-(2,2,2-trichloroacetyl)-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C39H40Cl3N3O5 MolecularWeight: 737.111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)C(=O)OCC5=CC=CC=C5)C)CC)C(=O)C(Cl)(Cl)Cl)C

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)C(=O)OCC5=CC=CC=C5)C)CC)C(=O)C(Cl)(Cl)Cl)C

InChI

InChI=1S/C39H40Cl3N3O5/c1-6-27-22(3)34(37(47)49-20-25-14-10-8-11-15-25)44-30(27)18-29-24(5)33(36(46)39(40,41)42)32(43-29)19-31-28(7-2)23(4)35(45-31)38(48)50-21-26-16-12-9-13-17-26/h8-17,43-45H,6-7,18-21H2,1-5H3