2-hydroxyethyl 6-(2,4,5-tricyanophenyl)heptanoate

Systemtic Name: 2-hydroxyethyl 6-(2,4,5-tricyanophenyl)heptanoate Openeye Name: 2-hydroxyethyl 6-(2,4,5-tricyanophenyl)heptanoate CAS Name: 6-(2,4,5-tricyanophenyl)heptanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 6-(2,4,5-tricyanophenyl)heptanoate Traditional Name: 6-(2,4,5-tricyanophenyl)enanthic acid 2-hydroxyethyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-13(4-2-3-5-18(23)24-7-6-22)17-9-15(11-20)14(10-19)8-16(17)12-21/h8-9,13,22H,2-7H2,1H3