ethyl 2-[4-[1-cyano-6-(2-ethyl-5-phenylmethoxy-phenoxy)hexyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[1-cyano-6-(2-ethyl-5-phenylmethoxy-phenoxy)hexyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[6-(5-benzyloxy-2-ethyl-phenoxy)-1-cyano-hexyl]phenoxy]acetate CAS Name: 2-[4-[1-cyano-6-(2-ethyl-5-phenylmethoxyphenoxy)hexyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-cyano-6-(2-ethyl-5-phenylmethoxyphenoxy)hexyl]phenoxy]acetate Traditional Name: 2-[4-[6-(5-benzoxy-2-ethyl-phenoxy)-1-cyano-hexyl]phenoxy]acetic acid ethyl ester Formula: C32H37NO5 MolecularWeight: 515.63988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)OCC2=CC=CC=C2)OCCCCCC(C#N)C3=CC=C(C=C3)OCC(=O)OCC

Isomeric SMILES

CCC1=C(C=C(C=C1)OCC2=CC=CC=C2)OCCCCCC(C#N)C3=CC=C(C=C3)OCC(=O)OCC

InChI

InChI=1S/C32H37NO5/c1-3-26-14-19-30(37-23-25-11-7-5-8-12-25)21-31(26)36-20-10-6-9-13-28(22-33)27-15-17-29(18-16-27)38-24-32(34)35-4-2/h5,7-8,11-12,14-19,21,28H,3-4,6,9-10,13,20,23-24H2,1-2H3