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

Systemtic Name: 3-(4-bromanyl-2-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-urea Openeye Name: 3-(4-bromo-2-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-urea CAS Name: 3-(4-bromo-2-methylphenyl)-1-(2,2-diethoxyethyl)-1-phenethylurea IUPAC Name: 3-(4-bromo-2-methylphenyl)-1-(2,2-diethoxyethyl)-1-phenethylurea Traditional Name: 3-(4-bromo-2-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-urea Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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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)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O3/c1-4-27-21(28-5-2)16-25(14-13-18-9-7-6-8-10-18)22(26)24-20-12-11-19(23)15-17(20)3/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,24,26)