1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptyl-3-[2,4,6-tris(fluoranyl)phenyl]urea

Systemtic Name: 1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptyl-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-[4-(2-ethylhexyl)benzyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea Formula: C29H41F3N2O MolecularWeight: 490.64385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CC(CC)CCCC)C(=O)NC2=C(C=C(C=C2F)F)F

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CC(CC)CCCC)C(=O)NC2=C(C=C(C=C2F)F)F

InChI

InChI=1S/C29H41F3N2O/c1-4-7-9-10-11-17-34(29(35)33-28-26(31)19-25(30)20-27(28)32)21-24-15-13-23(14-16-24)18-22(6-3)12-8-5-2/h13-16,19-20,22H,4-12,17-18,21H2,1-3H3,(H,33,35)