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

Systemtic Name: 2-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]benzoic acid Openeye Name: 2-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]benzoic acid CAS Name: 2-[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]-2-methylphenyl]benzoic acid IUPAC Name: 2-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methylphenyl]benzoic acid Traditional Name: 2-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]benzoic acid Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H31NO3S/c1-19-15-21(11-13-22(19)23-9-5-6-10-24(23)27(29)30)17-31-25(26-16-28-18-32-26)14-12-20-7-3-2-4-8-20/h5-6,9-11,13,15-16,18,20,25H,2-4,7-8,12,14,17H2,1H3,(H,29,30)