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

Systemtic Name: 4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]-3-methoxy-benzoic acid Openeye Name: 4-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]-3-methoxy-benzoic acid CAS Name: 4-[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]-2-methylphenyl]-3-methoxybenzoic acid IUPAC Name: 4-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methylphenyl]-3-methoxybenzoic acid Traditional Name: 4-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]-3-methoxy-benzoic acid Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C28H33NO4S/c1-19-14-21(8-11-23(19)24-12-10-22(28(30)31)15-26(24)32-2)17-33-25(27-16-29-18-34-27)13-9-20-6-4-3-5-7-20/h8,10-12,14-16,18,20,25H,3-7,9,13,17H2,1-2H3,(H,30,31)