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

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptyl-urea Openeye Name: 3-(2,4-difluorophenyl)-1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptyl-urea CAS Name: 3-(2,4-difluorophenyl)-1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptylurea IUPAC Name: 3-(2,4-difluorophenyl)-1-[[4-(2-ethylhexyl)phenyl]methyl]-1-heptylurea Traditional Name: 3-(2,4-difluorophenyl)-1-[4-(2-ethylhexyl)benzyl]-1-heptyl-urea Formula: C29H42F2N2O MolecularWeight: 472.653386

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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=C2)F)F

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CC(CC)CCCC)C(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C29H42F2N2O/c1-4-7-9-10-11-19-33(29(34)32-28-18-17-26(30)21-27(28)31)22-25-15-13-24(14-16-25)20-23(6-3)12-8-5-2/h13-18,21,23H,4-12,19-20,22H2,1-3H3,(H,32,34)