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

Systemtic Name: 5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-[(4-tert-butylphenoxy)methyl]-4-thiazolyl]-1-(cyclohexylmethyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-[(4-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-[(4-tert-butylphenoxy)methyl]thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)COC4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)COC4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H34N2O3S/c1-18-22(26(30)31)14-24(29(18)15-19-8-6-5-7-9-19)23-17-33-25(28-23)16-32-21-12-10-20(11-13-21)27(2,3)4/h10-14,17,19H,5-9,15-16H2,1-4H3,(H,30,31)