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

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[[4-(3-methylbutoxy)phenyl]methyl]urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[(4-isopentyloxyphenyl)methyl]urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[[4-(3-methylbutoxy)phenyl]methyl]urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[[4-(3-methylbutoxy)phenyl]methyl]urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-(4-isoamoxybenzyl)urea Formula: C26H36F2N2O2 MolecularWeight: 446.573046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36F2N2O2/c1-4-5-6-7-8-16-30(26(31)29-25-14-11-22(27)18-24(25)28)19-21-9-12-23(13-10-21)32-17-15-20(2)3/h9-14,18,20H,4-8,15-17,19H2,1-3H3,(H,29,31)