1-[2-cyano-4-(4-pentylphenyl)phenyl]ethyl 3-methylpentanoate

Systemtic Name: 1-[2-cyano-4-(4-pentylphenyl)phenyl]ethyl 3-methylpentanoate Openeye Name: 1-[2-cyano-4-(4-pentylphenyl)phenyl]ethyl 3-methylpentanoate CAS Name: 3-methylpentanoic acid 1-[2-cyano-4-(4-pentylphenyl)phenyl]ethyl ester IUPAC Name: 1-[2-cyano-4-(4-pentylphenyl)phenyl]ethyl 3-methylpentanoate Traditional Name: 3-methylvaleric acid 1-[4-(4-amylphenyl)-2-cyano-phenyl]ethyl ester Formula: C26H33NO2 MolecularWeight: 391.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)CC(C)CC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)CC(C)CC)C#N

InChI

InChI=1S/C26H33NO2/c1-5-7-8-9-21-10-12-22(13-11-21)23-14-15-25(24(17-23)18-27)20(4)29-26(28)16-19(3)6-2/h10-15,17,19-20H,5-9,16H2,1-4H3