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

Systemtic Name: 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)pentoxymethyl]-2-(2-methylphenyl)benzoic acid Openeye Name: 4-[1-(2,4-dimethylthiazol-5-yl)pentoxymethyl]-2-(o-tolyl)benzoic acid CAS Name: 4-[1-(2,4-dimethyl-5-thiazolyl)pentoxymethyl]-2-(2-methylphenyl)benzoic acid IUPAC Name: 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)pentoxymethyl]-2-(2-methylphenyl)benzoic acid Traditional Name: 4-[1-(2,4-dimethylthiazol-5-yl)pentoxymethyl]-2-(o-tolyl)benzoic acid Formula: C25H29NO3S MolecularWeight: 423.56766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(N=C(S1)C)C)OCC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC(C1=C(N=C(S1)C)C)OCC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C25H29NO3S/c1-5-6-11-23(24-17(3)26-18(4)30-24)29-15-19-12-13-21(25(27)28)22(14-19)20-10-8-7-9-16(20)2/h7-10,12-14,23H,5-6,11,15H2,1-4H3,(H,27,28)