methyl 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonylnaphthalen-2-yl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonylnaphthalen-2-yl)phenyl]propanoate Openeye Name: methyl 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonyl-2-naphthyl)phenyl]propanoate CAS Name: 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonyl-2-naphthalenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclopentylmethoxy)-3-(6-methylsulfonylnaphthalen-2-yl)phenyl]propanoate Traditional Name: 3-[4-(cyclopentylmethoxy)-3-(6-mesyl-2-naphthyl)phenyl]propionic acid methyl ester Formula: C27H30O5S MolecularWeight: 466.5891

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H30O5S/c1-31-27(28)14-8-19-7-13-26(32-18-20-5-3-4-6-20)25(15-19)23-10-9-22-17-24(33(2,29)30)12-11-21(22)16-23/h7,9-13,15-17,20H,3-6,8,14,18H2,1-2H3