3-[4-(cyclopentylmethoxy)-3-(2-methoxy-1,3-benzothiazol-6-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-(cyclopentylmethoxy)-3-(2-methoxy-1,3-benzothiazol-6-yl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclopentylmethoxy)-3-(2-methoxy-1,3-benzothiazol-6-yl)phenyl]propanoic acid CAS Name: 3-[4-(cyclopentylmethoxy)-3-(2-methoxy-1,3-benzothiazol-6-yl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclopentylmethoxy)-3-(2-methoxy-1,3-benzothiazol-6-yl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclopentylmethoxy)-3-(2-methoxy-1,3-benzothiazol-6-yl)phenyl]propionic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(S1)C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4

Isomeric SMILES

COC1=NC2=C(S1)C=C(C=C2)C3=C(C=CC(=C3)CCC(=O)O)OCC4CCCC4

InChI

InChI=1S/C23H25NO4S/c1-27-23-24-19-9-8-17(13-21(19)29-23)18-12-15(7-11-22(25)26)6-10-20(18)28-14-16-4-2-3-5-16/h6,8-10,12-13,16H,2-5,7,11,14H2,1H3,(H,25,26)