3-(4-ethoxyphenyl)-1-(phenylmethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(4-ethoxyphenyl)-1-(phenylmethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea CAS Name: 3-(4-ethoxyphenyl)-1-(phenylmethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-benzyl-3-(4-ethoxyphenyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-benzyl-3-p-phenetyl-1-[[1-[3-(trifluoromethyl)benzyl]pyrrol-2-yl]methyl]urea Formula: C29H28F3N3O2 MolecularWeight: 507.54673

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C29H28F3N3O2/c1-2-37-27-15-13-25(14-16-27)33-28(36)35(19-22-8-4-3-5-9-22)21-26-12-7-17-34(26)20-23-10-6-11-24(18-23)29(30,31)32/h3-18H,2,19-21H2,1H3,(H,33,36)