dimethyl (2R,3S)-2-tert-butyl-3-(2,4,5-tricyanophenyl)butanedioate

Systemtic Name: dimethyl (2R,3S)-2-tert-butyl-3-(2,4,5-tricyanophenyl)butanedioate Openeye Name: dimethyl (2R,3S)-2-tert-butyl-3-(2,4,5-tricyanophenyl)butanedioate CAS Name: (2R,3S)-2-tert-butyl-3-(2,4,5-tricyanophenyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2R,3S)-2-tert-butyl-3-(2,4,5-tricyanophenyl)butanedioate Traditional Name: (2R,3S)-2-tert-butyl-3-(2,4,5-tricyanophenyl)succinic acid dimethyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4/c1-19(2,3)16(18(24)26-5)15(17(23)25-4)14-7-12(9-21)11(8-20)6-13(14)10-22/h6-7,15-16H,1-5H3/t15-,16+/m1/s1