1-(phenylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-(phenylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-benzyl-1-[3-(4-benzyl-1-piperidyl)propyl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea; 2,2,2-trifluoroacetic acid CAS Name: 3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-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-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-benzyl-1-[3-(4-benzylpiperidino)propyl]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea; 2,2,2-trifluoroacetic acid Formula: C37H46F3N3O3 MolecularWeight: 637.77465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H45N3O.C2HF3O2/c1-28(2)32-17-11-18-33(26-32)35(3,4)36-34(39)38(27-31-15-9-6-10-16-31)22-12-21-37-23-19-30(20-24-37)25-29-13-7-5-8-14-29;3-2(4,5)1(6)7/h5-11,13-18,26,30H,1,12,19-25,27H2,2-4H3,(H,36,39);(H,6,7)