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

Systemtic Name: 1-heptyl-1-[[4-(4-methylpentyl)phenyl]methyl]-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-heptyl-1-[(4-isohexylphenyl)methyl]-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-heptyl-1-[[4-(4-methylpentyl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-heptyl-1-[[4-(4-methylpentyl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-heptyl-1-(4-isohexylbenzyl)-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)CCCC(C)C)C(=O)NC2=C(C=C(C=C2F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C27H37F3N2O/c1-4-5-6-7-8-16-32(27(33)31-26-24(29)17-23(28)18-25(26)30)19-22-14-12-21(13-15-22)11-9-10-20(2)3/h12-15,17-18,20H,4-11,16,19H2,1-3H3,(H,31,33)