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

Systemtic Name: 1-(cyclohexylmethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-15-19(23(26)27)12-21(25(15)13-16-6-4-3-5-7-16)20-14-29-22(24-20)17-8-10-18(28-2)11-9-17/h8-12,14,16H,3-7,13H2,1-2H3,(H,26,27)