1-[2-cyano-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate

Systemtic Name: 1-[2-cyano-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate Openeye Name: 1-[2-cyano-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 1-[2-cyano-4-(4-octylphenyl)phenyl]ethyl ester IUPAC Name: 1-[2-cyano-4-(4-octylphenyl)phenyl]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 1-[2-cyano-4-(4-octylphenyl)phenyl]ethyl ester Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)C#N

InChI

InChI=1S/C28H37NO2/c1-5-7-8-9-10-11-12-23-13-15-24(16-14-23)25-17-18-27(26(19-25)20-29)22(4)31-28(30)21(3)6-2/h13-19,21-22H,5-12H2,1-4H3