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

Systemtic Name: 2-[3-[1-[2-(4-ethylphenyl)ethanoyl]piperidin-3-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[1-[2-(4-ethylphenyl)acetyl]-3-piperidyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[1-[2-(4-ethylphenyl)-1-oxoethyl]-3-piperidinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[1-[2-(4-ethylphenyl)acetyl]piperidin-3-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[1-[2-(4-ethylphenyl)acetyl]-3-piperidyl]phenoxy]-2-methyl-propionic acid Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N2CCCC(C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C25H31NO4/c1-4-18-10-12-19(13-11-18)15-23(27)26-14-6-8-21(17-26)20-7-5-9-22(16-20)30-25(2,3)24(28)29/h5,7,9-13,16,21H,4,6,8,14-15,17H2,1-3H3,(H,28,29)