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4-[3-cyclohexylpropoxy(1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)benzoic acid

4-[3-cyclohexylpropoxy(1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name:4-[3-cyclohexylpropoxy(1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)benzoic acid
Openeye Name:4-[3-cyclohexylpropoxy(thiazol-5-yl)methyl]-2-(o-tolyl)benzoic acid
CAS Name:4-[3-cyclohexylpropoxy(5-thiazolyl)methyl]-2-(2-methylphenyl)benzoic acid
IUPAC Name:4-[3-cyclohexylpropoxy(1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)benzoic acid
Traditional Name:4-[3-cyclohexylpropoxy(thiazol-5-yl)methyl]-2-(o-tolyl)benzoic acid
Formula: C27H31NO3S
MolecularWeight: 449.60494
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CS3)OCCCC4CCCCC4)C(=O)O


Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CS3)OCCCC4CCCCC4)C(=O)O


InChI

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


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