1-(cyclohexylmethyl)-5-[2-(6-methoxypyridin-3-yl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-5-[2-(6-methoxypyridin-3-yl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-[2-(6-methoxy-3-pyridyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-[2-(6-methoxy-3-pyridinyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-[2-(6-methoxypyridin-3-yl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-[2-(6-methoxy-3-pyridyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CN=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CN=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C22H25N3O3S/c1-14-17(22(26)27)10-19(25(14)12-15-6-4-3-5-7-15)18-13-29-21(24-18)16-8-9-20(28-2)23-11-16/h8-11,13,15H,3-7,12H2,1-2H3,(H,26,27)