2-[4-[3-cyclopentyloxy-5-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-cyclopentyloxy-5-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(cyclopentoxy)-5-(3-morpholinoprop-1-ynyl)phenyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[3-cyclopentyloxy-5-[3-(4-morpholinyl)prop-1-ynyl]phenyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-cyclopentyloxy-5-(3-morpholin-4-ylprop-1-ynyl)phenyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[3-(cyclopentoxy)-5-(3-morpholinoprop-1-ynyl)phenyl]thio]-2-methyl-phenoxy]acetic acid Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)OC3CCCC3)C#CCN4CCOCC4)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)OC3CCCC3)C#CCN4CCOCC4)OCC(=O)O

InChI

InChI=1S/C27H31NO5S/c1-20-15-24(8-9-26(20)32-19-27(29)30)34-25-17-21(5-4-10-28-11-13-31-14-12-28)16-23(18-25)33-22-6-2-3-7-22/h8-9,15-18,22H,2-3,6-7,10-14,19H2,1H3,(H,29,30)