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

Systemtic Name: 1-(cyclohexylmethyl)-5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-[2-(4-fluorophenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-[2-(4-fluorophenyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-[2-(4-fluorophenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H23FN2O2S/c1-14-18(22(26)27)11-20(25(14)12-15-5-3-2-4-6-15)19-13-28-21(24-19)16-7-9-17(23)10-8-16/h7-11,13,15H,2-6,12H2,1H3,(H,26,27)