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

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[[4-(4-methylpentoxy)phenyl]methyl]urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[(4-isohexyloxyphenyl)methyl]urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[[4-(4-methylpentoxy)phenyl]methyl]urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[[4-(4-methylpentoxy)phenyl]methyl]urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(4-isohexyloxybenzyl)urea Formula: C27H38F2N2O2 MolecularWeight: 460.599626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38F2N2O2/c1-4-5-6-7-8-17-31(27(32)30-26-16-13-23(28)19-25(26)29)20-22-11-14-24(15-12-22)33-18-9-10-21(2)3/h11-16,19,21H,4-10,17-18,20H2,1-3H3,(H,30,32)