1-[[2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-[[2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: [2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methylurea CAS Name: [2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methylurea IUPAC Name: [2-(3,3-dimethylbutyl)-4-(trifluoromethyl)phenyl]methylurea Traditional Name: [2-(3,3-dimethylbutyl)-4-(trifluoromethyl)benzyl]urea Formula: C15H21F3N2O MolecularWeight: 302.33525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC1=C(C=CC(=C1)C(F)(F)F)CNC(=O)N

Isomeric SMILES

CC(C)(C)CCC1=C(C=CC(=C1)C(F)(F)F)CNC(=O)N

InChI

InChI=1S/C15H21F3N2O/c1-14(2,3)7-6-10-8-12(15(16,17)18)5-4-11(10)9-20-13(19)21/h4-5,8H,6-7,9H2,1-3H3,(H3,19,20,21)