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

Systemtic Name: 1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-cyclohexyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-cyclohexyl-5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-cyclohexyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2CCCCC2)C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1C2CCCCC2)C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C22H24N2O3S/c1-14-18(22(25)26)12-20(24(14)16-6-4-3-5-7-16)19-13-28-21(23-19)15-8-10-17(27-2)11-9-15/h8-13,16H,3-7H2,1-2H3,(H,25,26)