ethyl 3-[4-[(3-butoxy-5-phenoxy-phenyl)methoxy]-3-fluoranyl-phenyl]propanoate

Systemtic Name: ethyl 3-[4-[(3-butoxy-5-phenoxy-phenyl)methoxy]-3-fluoranyl-phenyl]propanoate Openeye Name: ethyl 3-[4-[(3-butoxy-5-phenoxy-phenyl)methoxy]-3-fluoro-phenyl]propanoate CAS Name: 3-[4-[(3-butoxy-5-phenoxyphenyl)methoxy]-3-fluorophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(3-butoxy-5-phenoxyphenyl)methoxy]-3-fluorophenyl]propanoate Traditional Name: 3-[4-(3-butoxy-5-phenoxy-benzyl)oxy-3-fluoro-phenyl]propionic acid ethyl ester Formula: C28H31FO5 MolecularWeight: 466.541143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)OC2=CC=CC=C2)COC3=C(C=C(C=C3)CCC(=O)OCC)F

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)OC2=CC=CC=C2)COC3=C(C=C(C=C3)CCC(=O)OCC)F

InChI

InChI=1S/C28H31FO5/c1-3-5-15-32-24-16-22(17-25(19-24)34-23-9-7-6-8-10-23)20-33-27-13-11-21(18-26(27)29)12-14-28(30)31-4-2/h6-11,13,16-19H,3-5,12,14-15,20H2,1-2H3