1-[5-[(3-ethyl-2-fluoranyl-phenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl benzoate

Systemtic Name: 1-[5-[(3-ethyl-2-fluoranyl-phenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl benzoate Openeye Name: 1-[5-[(3-ethyl-2-fluoro-phenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[5-[(3-ethyl-2-fluorophenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 1-[5-[(3-ethyl-2-fluorophenyl)methoxy]-2-propyl-1,3-dioxan-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[5-(3-ethyl-2-fluoro-benzyl)oxy-2-propyl-1,3-dioxan-4-yl]ethyl ester Formula: C25H31FO5 MolecularWeight: 430.509043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=CC=CC(=C3F)CC

Isomeric SMILES

CCCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=CC=CC(=C3F)CC

InChI

InChI=1S/C25H31FO5/c1-4-10-22-29-16-21(28-15-20-14-9-13-18(5-2)23(20)26)24(31-22)17(3)30-25(27)19-11-7-6-8-12-19/h6-9,11-14,17,21-22,24H,4-5,10,15-16H2,1-3H3