4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]phenyl]-2-hydroxy-benzoic acid CAS Name: 4-[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]phenyl]-2-hydroxybenzoic acid IUPAC Name: 4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]-2-hydroxybenzoic acid Traditional Name: 4-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]phenyl]-2-hydroxy-benzoic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C2=CN=CS2)OCC3=CC=C(C=C3)C4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)CCC(C2=CN=CS2)OCC3=CC=C(C=C3)C4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C26H29NO4S/c28-23-14-21(11-12-22(23)26(29)30)20-9-6-19(7-10-20)16-31-24(25-15-27-17-32-25)13-8-18-4-2-1-3-5-18/h6-7,9-12,14-15,17-18,24,28H,1-5,8,13,16H2,(H,29,30)