3-(4-bromanyl-2-fluoranyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-urea

Systemtic Name: 3-(4-bromanyl-2-fluoranyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-urea Openeye Name: 3-(4-bromo-2-fluoro-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-urea CAS Name: 3-(4-bromo-2-fluorophenyl)-1-(2,2-diethoxyethyl)-1-phenethylurea IUPAC Name: 3-(4-bromo-2-fluorophenyl)-1-(2,2-diethoxyethyl)-1-phenethylurea Traditional Name: 3-(4-bromo-2-fluoro-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-urea Formula: C21H26BrFN2O3 MolecularWeight: 453.345143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Br)F)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)Br)F)OCC

InChI

InChI=1S/C21H26BrFN2O3/c1-3-27-20(28-4-2)15-25(13-12-16-8-6-5-7-9-16)21(26)24-19-11-10-17(22)14-18(19)23/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,24,26)