(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoate CAS Name: 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate Traditional Name: 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C21H21Br2NO4 MolecularWeight: 511.20374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCC3)Br

InChI

InChI=1S/C21H21Br2NO4/c1-14-10-17(22)20(18(23)11-14)27-12-15-4-6-16(7-5-15)21(26)28-13-19(25)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12-13H2,1H3