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

Systemtic Name: 3-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid Openeye Name: 3-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid CAS Name: 3-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid IUPAC Name: 3-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]propanoic acid Traditional Name: 3-[4-(cyclopentylmethoxy)-3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]propionic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3S/c1-15-24-20-9-8-18(13-22(20)28-15)19-12-16(7-11-23(25)26)6-10-21(19)27-14-17-4-2-3-5-17/h6,8-10,12-13,17H,2-5,7,11,14H2,1H3,(H,25,26)