methyl 2-[3-[3-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[3-[3-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoranyl-benzoate Openeye Name: methyl 2-[3-[3-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoro-benzoate CAS Name: 2-[3-[3-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]-6-fluorobenzoate Traditional Name: 2-[3-[3-(5-benzoxy-4-bromo-2-ethyl-phenoxy)propoxy]-2-propyl-phenoxy]-6-fluoro-benzoic acid methyl ester Formula: C35H36BrFO6 MolecularWeight: 651.559143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)OCC3=CC=CC=C3)OC4=C(C(=CC=C4)F)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)OCC3=CC=CC=C3)OC4=C(C(=CC=C4)F)C(=O)OC

InChI

InChI=1S/C35H36BrFO6/c1-4-12-26-29(16-10-17-30(26)43-31-18-9-15-28(37)34(31)35(38)39-3)40-19-11-20-41-32-22-33(27(36)21-25(32)5-2)42-23-24-13-7-6-8-14-24/h6-10,13-18,21-22H,4-5,11-12,19-20,23H2,1-3H3