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

Systemtic Name: 4-[4-[(3-cyclohexyl-1-thiophen-2-yl-propoxy)methyl]-2-methyl-phenyl]benzoic acid Openeye Name: 4-[4-[[3-cyclohexyl-1-(2-thienyl)propoxy]methyl]-2-methyl-phenyl]benzoic acid CAS Name: 4-[4-[(3-cyclohexyl-1-thiophen-2-ylpropoxy)methyl]-2-methylphenyl]benzoic acid IUPAC Name: 4-[4-[(3-cyclohexyl-1-thiophen-2-ylpropoxy)methyl]-2-methylphenyl]benzoic acid Traditional Name: 4-[4-[[3-cyclohexyl-1-(2-thienyl)propoxy]methyl]-2-methyl-phenyl]benzoic acid Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O3S/c1-20-18-22(9-15-25(20)23-11-13-24(14-12-23)28(29)30)19-31-26(27-8-5-17-32-27)16-10-21-6-3-2-4-7-21/h5,8-9,11-15,17-18,21,26H,2-4,6-7,10,16,19H2,1H3,(H,29,30)