2-hydroxyethyl (3R,6R)-3,7-dimethyl-6-(2,4,5-tricyanophenyl)octanoate

Systemtic Name: 2-hydroxyethyl (3R,6R)-3,7-dimethyl-6-(2,4,5-tricyanophenyl)octanoate Openeye Name: 2-hydroxyethyl (3R,6R)-3,7-dimethyl-6-(2,4,5-tricyanophenyl)octanoate CAS Name: (3R,6R)-3,7-dimethyl-6-(2,4,5-tricyanophenyl)octanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl (3R,6R)-3,7-dimethyl-6-(2,4,5-tricyanophenyl)octanoate Traditional Name: (3R,6R)-3,7-dimethyl-6-(2,4,5-tricyanophenyl)caprylic acid 2-hydroxyethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-14(2)19(5-4-15(3)8-21(26)27-7-6-25)20-10-17(12-23)16(11-22)9-18(20)13-24/h9-10,14-15,19,25H,4-8H2,1-3H3/t15-,19-/m1/s1