ditert-butyl (Z,4S)-4-[2-(4-bromophenyl)ethyl]-4-cyano-pent-2-enedioate

Systemtic Name: ditert-butyl (Z,4S)-4-[2-(4-bromophenyl)ethyl]-4-cyano-pent-2-enedioate Openeye Name: ditert-butyl (Z,4S)-4-[2-(4-bromophenyl)ethyl]-4-cyano-pent-2-enedioate CAS Name: (Z,4S)-4-[2-(4-bromophenyl)ethyl]-4-cyano-2-pentenedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (Z,4S)-4-[2-(4-bromophenyl)ethyl]-4-cyanopent-2-enedioate Traditional Name: (Z,4S)-4-[2-(4-bromophenyl)ethyl]-4-cyano-pent-2-enedioic acid ditert-butyl ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC(CCC1=CC=C(C=C1)Br)(C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)/C=C\[C@@](CCC1=CC=C(C=C1)Br)(C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28BrNO4/c1-20(2,3)27-18(25)12-14-22(15-24,19(26)28-21(4,5)6)13-11-16-7-9-17(23)10-8-16/h7-10,12,14H,11,13H2,1-6H3/b14-12-/t22-/m0/s1