1-[(4-butylphenyl)methyl]-1-heptyl-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-1-heptyl-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[(4-butylphenyl)methyl]-1-heptyl-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[(4-butylphenyl)methyl]-1-heptyl-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[(4-butylphenyl)methyl]-1-heptyl-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(4-butylbenzyl)-1-heptyl-3-[3-(trifluoromethyl)phenyl]urea Formula: C26H35F3N2O MolecularWeight: 448.56411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35F3N2O/c1-3-5-7-8-9-18-31(20-22-16-14-21(15-17-22)11-6-4-2)25(32)30-24-13-10-12-23(19-24)26(27,28)29/h10,12-17,19H,3-9,11,18,20H2,1-2H3,(H,30,32)