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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrNO5/c1-4-25-17-8-7-15(13-16(17)21)20(14-22,11-9-18(23)26-5-2)12-10-19(24)27-6-3/h7-8,13H,4-6,9-12H2,1-3H3