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

Systemtic Name: 3-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]benzoic acid Openeye Name: 3-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]phenyl]benzoic acid CAS Name: 3-[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]phenyl]benzoic acid IUPAC Name: 3-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]phenyl]benzoic acid Traditional Name: 3-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]phenyl]benzoic acid Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3S/c28-26(29)23-8-4-7-22(15-23)21-12-9-20(10-13-21)17-30-24(25-16-27-18-31-25)14-11-19-5-2-1-3-6-19/h4,7-10,12-13,15-16,18-19,24H,1-3,5-6,11,14,17H2,(H,28,29)