3-(4-bromanyl-2,6-dimethyl-phenyl)-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea

Systemtic Name: 3-(4-bromanyl-2,6-dimethyl-phenyl)-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea Openeye Name: 3-(4-bromo-2,6-dimethyl-phenyl)-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea CAS Name: 3-(4-bromo-2,6-dimethylphenyl)-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea IUPAC Name: 3-(4-bromo-2,6-dimethylphenyl)-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea Traditional Name: 3-(4-bromo-2,6-dimethyl-phenyl)-1-heptyl-1-[4-(2-methoxyethoxymethoxy)benzyl]urea Formula: C27H39BrN2O4 MolecularWeight: 535.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OCOCCOC)C(=O)NC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OCOCCOC)C(=O)NC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C27H39BrN2O4/c1-5-6-7-8-9-14-30(27(31)29-26-21(2)17-24(28)18-22(26)3)19-23-10-12-25(13-11-23)34-20-33-16-15-32-4/h10-13,17-18H,5-9,14-16,19-20H2,1-4H3,(H,29,31)