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

Systemtic Name: 6-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]hexyl 2-methylbutanoate Openeye Name: 6-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]hexyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 6-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]hexyl ester IUPAC Name: 6-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]hexyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 6-[4-[2-(4-cyanophenyl)ethynyl]phenoxy]hexyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C)C(=O)OCCCCCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C26H29NO3/c1-3-21(2)26(28)30-19-7-5-4-6-18-29-25-16-14-23(15-17-25)9-8-22-10-12-24(20-27)13-11-22/h10-17,21H,3-7,18-19H2,1-2H3