1-[4-(3-fluoranyl-4-heptoxy-phenyl)phenyl]ethyl 3-methylpentanoate

Systemtic Name: 1-[4-(3-fluoranyl-4-heptoxy-phenyl)phenyl]ethyl 3-methylpentanoate Openeye Name: 1-[4-(3-fluoro-4-heptoxy-phenyl)phenyl]ethyl 3-methylpentanoate CAS Name: 3-methylpentanoic acid 1-[4-(3-fluoro-4-heptoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(3-fluoro-4-heptoxyphenyl)phenyl]ethyl 3-methylpentanoate Traditional Name: 3-methylvaleric acid 1-[4-(3-fluoro-4-heptoxy-phenyl)phenyl]ethyl ester Formula: C27H37FO3 MolecularWeight: 428.579283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37FO3/c1-5-7-8-9-10-17-30-26-16-15-24(19-25(26)28)23-13-11-22(12-14-23)21(4)31-27(29)18-20(3)6-2/h11-16,19-21H,5-10,17-18H2,1-4H3