3-[2-fluoranyl-6-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea

Systemtic Name: 3-[2-fluoranyl-6-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea Openeye Name: 3-[2-fluoro-6-[4-(1,1,3,3-tetramethylbutyl)phenoxy]phenyl]-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea CAS Name: 3-[2-fluoro-6-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea IUPAC Name: 3-[2-fluoro-6-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl]-1-heptyl-1-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]urea Traditional Name: 3-[2-fluoro-6-[4-(1,1,3,3-tetramethylbutyl)phenoxy]phenyl]-1-heptyl-1-[4-(2-methoxyethoxymethoxy)benzyl]urea Formula: C39H55FN2O5 MolecularWeight: 650.862803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OCOCCOC)C(=O)NC2=C(C=CC=C2F)OC3=CC=C(C=C3)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OCOCCOC)C(=O)NC2=C(C=CC=C2F)OC3=CC=C(C=C3)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C39H55FN2O5/c1-8-9-10-11-12-24-42(27-30-16-20-32(21-17-30)46-29-45-26-25-44-7)37(43)41-36-34(40)14-13-15-35(36)47-33-22-18-31(19-23-33)39(5,6)28-38(2,3)4/h13-23H,8-12,24-29H2,1-7H3,(H,41,43)