ethyl 4,5-bis(bromanyl)-1-(phenylmethyl)-3-propan-2-yloxy-pyrrole-2-carboxylate

Systemtic Name: ethyl 4,5-bis(bromanyl)-1-(phenylmethyl)-3-propan-2-yloxy-pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4,5-dibromo-3-isopropoxy-pyrrole-2-carboxylate CAS Name: 4,5-dibromo-1-(phenylmethyl)-3-propan-2-yloxy-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4,5-dibromo-3-propan-2-yloxypyrrole-2-carboxylate Traditional Name: 1-benzyl-4,5-dibromo-3-isopropoxy-pyrrole-2-carboxylic acid ethyl ester Formula: C17H19Br2NO3 MolecularWeight: 445.14566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)Br)Br)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)Br)Br)OC(C)C

InChI

InChI=1S/C17H19Br2NO3/c1-4-22-17(21)14-15(23-11(2)3)13(18)16(19)20(14)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3