6-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methyl-phenyl]-1-benzofuran-2-carboxylic acid Openeye Name: 6-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]benzofuran-2-carboxylic acid CAS Name: 6-[4-[[3-cyclohexyl-1-(5-thiazolyl)propoxy]methyl]-2-methylphenyl]-2-benzofurancarboxylic acid IUPAC Name: 6-[4-[[3-cyclohexyl-1-(1,3-thiazol-5-yl)propoxy]methyl]-2-methylphenyl]-1-benzofuran-2-carboxylic acid Traditional Name: 6-[4-[(3-cyclohexyl-1-thiazol-5-yl-propoxy)methyl]-2-methyl-phenyl]coumarilic acid Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC5=C(C=C4)C=C(O5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)COC(CCC2CCCCC2)C3=CN=CS3)C4=CC5=C(C=C4)C=C(O5)C(=O)O

InChI

InChI=1S/C29H31NO4S/c1-19-13-21(7-11-24(19)22-9-10-23-15-27(29(31)32)34-26(23)14-22)17-33-25(28-16-30-18-35-28)12-8-20-5-3-2-4-6-20/h7,9-11,13-16,18,20,25H,2-6,8,12,17H2,1H3,(H,31,32)