2-[[4-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-propan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-propan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1-(1,3-benzodioxol-5-yl)-3-ethoxypropan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[1-(1,3-benzodioxol-5-yl)-3-ethoxypropan-2-yl]oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(1,3-benzodioxol-5-yl)-1-(ethoxymethyl)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H37NO7S MolecularWeight: 579.70368

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CC1=CC2=C(C=C1)OCO2)OCC3=CC(=C(C=C3)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4C

Isomeric SMILES

CCOCC(CC1=CC2=C(C=C1)OCO2)OCC3=CC(=C(C=C3)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4C

InChI

InChI=1S/C32H37NO7S/c1-4-37-19-24(15-22-10-12-29-30(17-22)40-20-39-29)38-18-23-9-11-26(27(16-23)25-8-6-5-7-21(25)2)31(34)33-28(32(35)36)13-14-41-3/h5-12,16-17,24,28H,4,13-15,18-20H2,1-3H3,(H,33,34)(H,35,36)