methyl 4-[[2-(3-methoxyphenyl)ethanoyl-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]carbonylphenyl]phenyl]methyl]amino]methyl]benzoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 4-[[2-(3-methoxyphenyl)ethanoyl-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]carbonylphenyl]phenyl]methyl]amino]methyl]benzoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 4-[[[2-(3-methoxyphenyl)acetyl]-[[3-[3-[4-[3-(4-piperidyl)propyl]piperidine-1-carbonyl]phenyl]phenyl]methyl]amino]methyl]benzoate; 2,2,2-trifluoroacetic acid CAS Name: 4-[[[2-(3-methoxyphenyl)-1-oxoethyl]-[[3-[3-[oxo-[4-[3-(4-piperidinyl)propyl]-1-piperidinyl]methyl]phenyl]phenyl]methyl]amino]methyl]benzoic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 4-[[[2-(3-methoxyphenyl)acetyl]-[[3-[3-[4-(3-piperidin-4-ylpropyl)piperidine-1-carbonyl]phenyl]phenyl]methyl]amino]methyl]benzoate; 2,2,2-trifluoroacetic acid Traditional Name: 4-[[[2-(3-methoxyphenyl)acetyl]-[3-[3-[4-[3-(4-piperidyl)propyl]piperidine-1-carbonyl]phenyl]benzyl]amino]methyl]benzoic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C47H54F3N3O7 MolecularWeight: 829.94277

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N(CC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N5CCC(CC5)CCCC6CCNCC6.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N(CC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N5CCC(CC5)CCCC6CCNCC6.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C45H53N3O5.C2HF3O2/c1-52-42-14-5-9-36(28-42)29-43(49)48(31-35-15-17-38(18-16-35)45(51)53-2)32-37-10-4-11-39(27-37)40-12-6-13-41(30-40)44(50)47-25-21-34(22-26-47)8-3-7-33-19-23-46-24-20-33;3-2(4,5)1(6)7/h4-6,9-18,27-28,30,33-34,46H,3,7-8,19-26,29,31-32H2,1-2H3;(H,6,7)