diethyl 2-(3-bromanyl-4-ethoxy-phenyl)-4-cyano-heptanedioate

Systemtic Name: diethyl 2-(3-bromanyl-4-ethoxy-phenyl)-4-cyano-heptanedioate Openeye Name: diethyl 2-(3-bromo-4-ethoxy-phenyl)-4-cyano-heptanedioate CAS Name: 2-(3-bromo-4-ethoxyphenyl)-4-cyanoheptanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-bromo-4-ethoxyphenyl)-4-cyanoheptanedioate Traditional Name: 2-(3-bromo-4-ethoxy-phenyl)-4-cyano-pimelic acid diethyl ester Formula: C20H26BrNO5 MolecularWeight: 440.32814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(CCC(=O)OCC)C#N)C(=O)OCC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(CCC(=O)OCC)C#N)C(=O)OCC)Br

InChI

InChI=1S/C20H26BrNO5/c1-4-25-18-9-8-15(12-17(18)21)16(20(24)27-6-3)11-14(13-22)7-10-19(23)26-5-2/h8-9,12,14,16H,4-7,10-11H2,1-3H3