2-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]propanoic acid Openeye Name: 2-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]propanoic acid CAS Name: 2-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]propanoic acid IUPAC Name: 2-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]propanoic acid Traditional Name: 2-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]propionic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C3=C(C=CC(=C3)C(C)C(=O)O)OCC4CCCC4

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)C3=C(C=CC(=C3)C(C)C(=O)O)OCC4CCCC4

InChI

InChI=1S/C23H25NO3S/c1-14(23(25)26)17-7-9-21(27-13-16-5-3-4-6-16)19(11-17)18-8-10-22-20(12-18)24-15(2)28-22/h7-12,14,16H,3-6,13H2,1-2H3,(H,25,26)