dimethyl (2S,3S)-2-pentyl-3-(2,4,5-tricyanophenyl)butanedioate

Systemtic Name: dimethyl (2S,3S)-2-pentyl-3-(2,4,5-tricyanophenyl)butanedioate Openeye Name: dimethyl (2S,3S)-2-pentyl-3-(2,4,5-tricyanophenyl)butanedioate CAS Name: (2S,3S)-2-pentyl-3-(2,4,5-tricyanophenyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2-pentyl-3-(2,4,5-tricyanophenyl)butanedioate Traditional Name: (2S,3S)-2-amyl-3-(2,4,5-tricyanophenyl)succinic acid dimethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[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/C20H21N3O4/c1-4-5-6-7-16(19(24)26-2)18(20(25)27-3)17-9-14(11-22)13(10-21)8-15(17)12-23/h8-9,16,18H,4-7H2,1-3H3/t16-,18-/m0/s1