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

Systemtic Name: 1-(cyclohexylmethyl)-5-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-[2-[(4-methoxyphenoxy)methyl]thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-[2-[(4-methoxyphenoxy)methyl]-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-[2-[(4-methoxyphenoxy)methyl]thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-16-20(24(27)28)12-22(26(16)13-17-6-4-3-5-7-17)21-15-31-23(25-21)14-30-19-10-8-18(29-2)9-11-19/h8-12,15,17H,3-7,13-14H2,1-2H3,(H,27,28)