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

Systemtic Name: 2-[3-[1-[2-(4-ethoxyphenyl)ethanoyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[1-[2-(4-ethoxyphenyl)acetyl]-3-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[1-[2-(4-ethoxyphenyl)-1-oxoethyl]-3-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-methyl-2-[3-[1-(2-p-phenetylacetyl)-3-piperidyl]phenoxy]propionic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C25H31NO5/c1-4-30-21-12-10-18(11-13-21)15-23(27)26-14-6-8-20(17-26)19-7-5-9-22(16-19)31-25(2,3)24(28)29/h5,7,9-13,16,20H,4,6,8,14-15,17H2,1-3H3,(H,28,29)