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

Systemtic Name: 1-(cyclohexylmethyl)-5-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-(2-cyclohexylthiazol-4-yl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-(2-cyclohexyl-4-thiazolyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-(2-cyclohexylthiazol-4-yl)-2-methyl-pyrrole-3-carboxylic acid Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4CCCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4CCCCC4)C(=O)O

InChI

InChI=1S/C22H30N2O2S/c1-15-18(22(25)26)12-20(24(15)13-16-8-4-2-5-9-16)19-14-27-21(23-19)17-10-6-3-7-11-17/h12,14,16-17H,2-11,13H2,1H3,(H,25,26)