2-hydroxyethyl (2S,5S)-5-methyl-2-propan-2-yl-6-(2,4,5-tricyanophenyl)hexanoate

Systemtic Name: 2-hydroxyethyl (2S,5S)-5-methyl-2-propan-2-yl-6-(2,4,5-tricyanophenyl)hexanoate Openeye Name: 2-hydroxyethyl (2S,5S)-2-isopropyl-5-methyl-6-(2,4,5-tricyanophenyl)hexanoate CAS Name: (2S,5S)-5-methyl-2-propan-2-yl-6-(2,4,5-tricyanophenyl)hexanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl (2S,5S)-5-methyl-2-propan-2-yl-6-(2,4,5-tricyanophenyl)hexanoate Traditional Name: (2S,5S)-2-isopropyl-5-methyl-6-(2,4,5-tricyanophenyl)hexanoic acid 2-hydroxyethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)CC1=C(C=C(C(=C1)C#N)C#N)C#N)C(=O)OCCO

Isomeric SMILES

C[C@@H](CC[C@@H](C(C)C)C(=O)OCCO)CC1=C(C=C(C(=C1)C#N)C#N)C#N

InChI

InChI=1S/C21H25N3O3/c1-14(2)20(21(26)27-7-6-25)5-4-15(3)8-16-9-18(12-23)19(13-24)10-17(16)11-22/h9-10,14-15,20,25H,4-8H2,1-3H3/t15-,20-/m0/s1