O4-[2-(3-bromanylphenoxy)ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-(3-bromanylphenoxy)ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(3-bromophenoxy)ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(3-bromophenoxy)ethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(3-bromophenoxy)ethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(3-bromophenoxy)ethyl] ester O2-ethyl ester Formula: C18H20BrNO5 MolecularWeight: 410.2591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCOC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCOC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C18H20BrNO5/c1-4-23-18(22)16-11(2)15(12(3)20-16)17(21)25-9-8-24-14-7-5-6-13(19)10-14/h5-7,10,20H,4,8-9H2,1-3H3