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

Systemtic Name: 1-(cyclohexylmethyl)-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-[2-(3,4-dimethoxyphenyl)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)C4=CC(=C(C=C4)OC)OC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-15-18(24(27)28)12-20(26(15)13-16-7-5-4-6-8-16)19-14-31-23(25-19)17-9-10-21(29-2)22(11-17)30-3/h9-12,14,16H,4-8,13H2,1-3H3,(H,27,28)