2-[[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pentoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pentoxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[1-(2,3-dihydrobenzofuran-5-yl)pentoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[1-(2,3-dihydrobenzofuran-5-yl)pentoxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[1-(2,3-dihydro-1-benzofuran-5-yl)pentoxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(1-coumaran-5-ylpentoxymethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H39NO5S MolecularWeight: 561.73146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=C(C=C1)OCC2)OCC3=CC(=C(C=C3)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4C

Isomeric SMILES

CCCCC(C1=CC2=C(C=C1)OCC2)OCC3=CC(=C(C=C3)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4C

InChI

InChI=1S/C33H39NO5S/c1-4-5-10-30(24-12-14-31-25(20-24)15-17-38-31)39-21-23-11-13-27(28(19-23)26-9-7-6-8-22(26)2)32(35)34-29(33(36)37)16-18-40-3/h6-9,11-14,19-20,29-30H,4-5,10,15-18,21H2,1-3H3,(H,34,35)(H,36,37)