dimethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-4-cyano-heptanedioate

Systemtic Name: dimethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-4-cyano-heptanedioate Openeye Name: dimethyl 4-(2-bromo-4,5-dimethoxy-phenyl)-4-cyano-heptanedioate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-4-cyanoheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-(2-bromo-4,5-dimethoxyphenyl)-4-cyanoheptanedioate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-4-cyano-pimelic acid dimethyl ester Formula: C18H22BrNO6 MolecularWeight: 428.27438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(CCC(=O)OC)(CCC(=O)OC)C#N)Br)OC

InChI

InChI=1S/C18H22BrNO6/c1-23-14-9-12(13(19)10-15(14)24-2)18(11-20,7-5-16(21)25-3)8-6-17(22)26-4/h9-10H,5-8H2,1-4H3