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

Systemtic Name: 1-[[3-(2-chlorophenyl)-1-benzofuran-2-yl]methyl]-1-heptyl-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-[[3-(2-chlorophenyl)benzofuran-2-yl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-[[3-(2-chlorophenyl)-2-benzofuranyl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-[[3-(2-chlorophenyl)-1-benzofuran-2-yl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-[[3-(2-chlorophenyl)benzofuran-2-yl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea Formula: C29H28ClF3N2O2 MolecularWeight: 528.99303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=C(C2=CC=CC=C2O1)C3=CC=CC=C3Cl)C(=O)NC4=C(C=C(C=C4F)F)F

Isomeric SMILES

CCCCCCCN(CC1=C(C2=CC=CC=C2O1)C3=CC=CC=C3Cl)C(=O)NC4=C(C=C(C=C4F)F)F

InChI

InChI=1S/C29H28ClF3N2O2/c1-2-3-4-5-10-15-35(29(36)34-28-23(32)16-19(31)17-24(28)33)18-26-27(20-11-6-8-13-22(20)30)21-12-7-9-14-25(21)37-26/h6-9,11-14,16-17H,2-5,10,15,18H2,1H3,(H,34,36)