3-[3-(carboxymethyloxy)-1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(carboxymethyloxy)-1-(3-cyclopentyl-2-phenylmethoxy-phenyl)-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[1-(2-benzyloxy-3-cyclopentyl-phenyl)-3-(carboxymethyloxy)-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(carboxymethyloxy)-1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]thio]propanoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-1-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[1-(2-benzoxy-3-cyclopentyl-phenyl)-3-(carboxymethyloxy)-2-hydroxy-propyl]thio]propionic acid Formula: C26H32O7S MolecularWeight: 488.59308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)C(C(COCC(=O)O)O)SCCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)C(C(COCC(=O)O)O)SCCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32O7S/c27-22(16-32-17-24(30)31)26(34-14-13-23(28)29)21-12-6-11-20(19-9-4-5-10-19)25(21)33-15-18-7-2-1-3-8-18/h1-3,6-8,11-12,19,22,26-27H,4-5,9-10,13-17H2,(H,28,29)(H,30,31)