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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)COC2COC(OC2C(C)OC(=O)C3=CC=CC=C3)C(C)C)F

Isomeric SMILES

CCC1=C(C(=CC=C1)COC2COC(OC2C(C)OC(=O)C3=CC=CC=C3)C(C)C)F

InChI

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