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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C26H28O5S/c1-17(26(27)28)19-10-12-25(31-16-18-5-3-4-6-18)24(15-19)22-8-7-21-14-23(32(2,29)30)11-9-20(21)13-22/h7-15,17-18H,3-6,16H2,1-2H3,(H,27,28)