O1-ethyl O5-methyl (2R,3R)-3-(3-bromophenyl)-2-cyano-4-methylidene-2-phenyl-pentanedioate

Systemtic Name: O1-ethyl O5-methyl (2R,3R)-3-(3-bromophenyl)-2-cyano-4-methylidene-2-phenyl-pentanedioate Openeye Name: O1-ethyl O5-methyl (2R,3R)-3-(3-bromophenyl)-2-cyano-4-methylene-2-phenyl-pentanedioate CAS Name: (2R,3R)-3-(3-bromophenyl)-2-cyano-4-methylene-2-phenylpentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl (2R,3R)-3-(3-bromophenyl)-2-cyano-4-methylidene-2-phenylpentanedioate Traditional Name: (2R,3R)-3-(3-bromophenyl)-2-cyano-4-methylene-2-phenyl-glutaric acid O1-ethyl ester O5-methyl ester Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)(C1=CC=CC=C1)C(C2=CC(=CC=C2)Br)C(=C)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@@](C#N)(C1=CC=CC=C1)[C@H](C2=CC(=CC=C2)Br)C(=C)C(=O)OC

InChI

InChI=1S/C22H20BrNO4/c1-4-28-21(26)22(14-24,17-10-6-5-7-11-17)19(15(2)20(25)27-3)16-9-8-12-18(23)13-16/h5-13,19H,2,4H2,1,3H3/t19-,22-/m0/s1