[4-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxy-phenyl] ester Formula: C29H20BrFN2O5 MolecularWeight: 575.381903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)F)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)F)OC)Br

InChI

InChI=1S/C29H20BrFN2O5/c1-35-24-11-6-19(14-22(24)30)28-33-23-15-21(9-12-25(23)37-28)32-16-17-3-10-26(27(13-17)36-2)38-29(34)18-4-7-20(31)8-5-18/h3-16H,1-2H3