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

Systemtic Name: 1-[2-fluoranyl-4-(4-heptoxyphenyl)phenyl]ethyl 2-methylbutanoate Openeye Name: 1-[2-fluoro-4-(4-heptoxyphenyl)phenyl]ethyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 1-[2-fluoro-4-(4-heptoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[2-fluoro-4-(4-heptoxyphenyl)phenyl]ethyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 1-[2-fluoro-4-(4-heptoxyphenyl)phenyl]ethyl ester Formula: C26H35FO3 MolecularWeight: 414.552703

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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)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(C)OC(=O)C(C)CC)F

InChI

InChI=1S/C26H35FO3/c1-5-7-8-9-10-17-29-23-14-11-21(12-15-23)22-13-16-24(25(27)18-22)20(4)30-26(28)19(3)6-2/h11-16,18-20H,5-10,17H2,1-4H3