3-(2,6-dimethylphenyl)-1-(phenylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(phenylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-benzyl-1-[3-(4-benzyl-1-piperidyl)propyl]-3-(2,6-dimethylphenyl)urea; 2,2,2-trifluoroacetic acid CAS Name: 3-(2,6-dimethylphenyl)-1-(phenylmethyl)-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-benzyl-1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(2,6-dimethylphenyl)urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-benzyl-1-[3-(4-benzylpiperidino)propyl]-3-(2,6-dimethylphenyl)urea; 2,2,2-trifluoroacetic acid Formula: C33H40F3N3O3 MolecularWeight: 583.68421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C31H39N3O.C2HF3O2/c1-25-11-9-12-26(2)30(25)32-31(35)34(24-29-15-7-4-8-16-29)20-10-19-33-21-17-28(18-22-33)23-27-13-5-3-6-14-27;3-2(4,5)1(6)7/h3-9,11-16,28H,10,17-24H2,1-2H3,(H,32,35);(H,6,7)