2-[3-[1-[2-(4-tert-butylphenoxy)ethanoyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[1-[2-(4-tert-butylphenoxy)ethanoyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[1-[2-(4-tert-butylphenoxy)acetyl]-3-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[1-[2-(4-tert-butylphenoxy)-1-oxoethyl]-3-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[1-[2-(4-tert-butylphenoxy)acetyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[1-[2-(4-tert-butylphenoxy)acetyl]-3-piperidyl]phenoxy]-2-methyl-propionic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C27H35NO5/c1-26(2,3)21-11-13-22(14-12-21)32-18-24(29)28-15-7-9-20(17-28)19-8-6-10-23(16-19)33-27(4,5)25(30)31/h6,8,10-14,16,20H,7,9,15,17-18H2,1-5H3,(H,30,31)