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

Systemtic Name: 1-[2-cyano-4-(4-hexoxyphenyl)phenyl]ethyl 2-methylbutanoate Openeye Name: 1-[2-cyano-4-(4-hexoxyphenyl)phenyl]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 1-[2-cyano-4-(4-hexoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[2-cyano-4-(4-hexoxyphenyl)phenyl]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 1-[2-cyano-4-(4-hexoxyphenyl)phenyl]ethyl ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)C#N

InChI

InChI=1S/C26H33NO3/c1-5-7-8-9-16-29-24-13-10-21(11-14-24)22-12-15-25(23(17-22)18-27)20(4)30-26(28)19(3)6-2/h10-15,17,19-20H,5-9,16H2,1-4H3