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

Systemtic Name: 1-[2-cyano-4-(4-heptoxyphenyl)phenyl]ethyl 2-methylbutanoate Openeye Name: 1-[2-cyano-4-(4-heptoxyphenyl)phenyl]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 1-[2-cyano-4-(4-heptoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[2-cyano-4-(4-heptoxyphenyl)phenyl]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 1-[2-cyano-4-(4-heptoxyphenyl)phenyl]ethyl ester Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)C#N

InChI

InChI=1S/C27H35NO3/c1-5-7-8-9-10-17-30-25-14-11-22(12-15-25)23-13-16-26(24(18-23)19-28)21(4)31-27(29)20(3)6-2/h11-16,18,20-21H,5-10,17H2,1-4H3