6-[4-(4-cyanophenyl)phenoxy]hexyl 2-methylbutanoate

Systemtic Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl 2-methylbutanoate Openeye Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 6-[4-(4-cyanophenyl)phenoxy]hexyl ester IUPAC Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 6-[4-(4-cyanophenyl)phenoxy]hexyl ester Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C24H29NO3/c1-3-19(2)24(26)28-17-7-5-4-6-16-27-23-14-12-22(13-15-23)21-10-8-20(18-25)9-11-21/h8-15,19H,3-7,16-17H2,1-2H3