3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonylnaphthalen-2-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonylnaphthalen-2-yl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonyl-2-naphthyl)phenyl]propanoic acid CAS Name: 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonyl-2-naphthalenyl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonylnaphthalen-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclopentylmethoxy)-3-(6-mesyl-2-naphthyl)phenyl]propionic acid Formula: C26H28O5S MolecularWeight: 452.56252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4

InChI

InChI=1S/C26H28O5S/c1-32(29,30)23-11-10-20-15-22(9-8-21(20)16-23)24-14-18(7-13-26(27)28)6-12-25(24)31-17-19-4-2-3-5-19/h6,8-12,14-16,19H,2-5,7,13,17H2,1H3,(H,27,28)