1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-fluoro-3-(trifluoromethyl)benzyl]urea Formula: C21H22F4N2O3 MolecularWeight: 426.404593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NCC2=C(C(=CC=C2)C(F)(F)F)F)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NCC2=C(C(=CC=C2)C(F)(F)F)F)OC3CCCC3

InChI

InChI=1S/C21H22F4N2O3/c1-29-17-10-9-14(11-18(17)30-15-6-2-3-7-15)27-20(28)26-12-13-5-4-8-16(19(13)22)21(23,24)25/h4-5,8-11,15H,2-3,6-7,12H2,1H3,(H2,26,27,28)