2-[2-(4-tert-butylphenyl)-2-phenylmethoxy-piperidin-1-yl]hexanoic acid

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-phenylmethoxy-piperidin-1-yl]hexanoic acid Openeye Name: 2-[2-benzyloxy-2-(4-tert-butylphenyl)-1-piperidyl]hexanoic acid CAS Name: 2-[2-(4-tert-butylphenyl)-2-phenylmethoxy-1-piperidinyl]hexanoic acid IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-phenylmethoxypiperidin-1-yl]hexanoic acid Traditional Name: 2-[2-benzoxy-2-(4-tert-butylphenyl)piperidino]hexanoic acid Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1CCCCC1(C2=CC=C(C=C2)C(C)(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)N1CCCCC1(C2=CC=C(C=C2)C(C)(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C28H39NO3/c1-5-6-14-25(26(30)31)29-20-11-10-19-28(29,32-21-22-12-8-7-9-13-22)24-17-15-23(16-18-24)27(2,3)4/h7-9,12-13,15-18,25H,5-6,10-11,14,19-21H2,1-4H3,(H,30,31)