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

Systemtic Name: 1-[[4-(2-ethylbutyl)phenyl]methyl]-1-heptyl-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-[[4-(2-ethylbutyl)phenyl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-[[4-(2-ethylbutyl)phenyl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-[[4-(2-ethylbutyl)phenyl]methyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-[4-(2-ethylbutyl)benzyl]-1-heptyl-3-(2,4,6-trifluorophenyl)urea Formula: C27H37F3N2O MolecularWeight: 462.59069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37F3N2O/c1-4-7-8-9-10-15-32(27(33)31-26-24(29)17-23(28)18-25(26)30)19-22-13-11-21(12-14-22)16-20(5-2)6-3/h11-14,17-18,20H,4-10,15-16,19H2,1-3H3,(H,31,33)