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

Systemtic Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-1-(4-phenylbutyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxylic acid Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCCC2=CC=CC=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCCCC2=CC=CC=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C26H26N2O3S/c1-18-22(26(29)30)16-24(28(18)15-7-6-10-19-8-4-3-5-9-19)23-17-32-25(27-23)20-11-13-21(31-2)14-12-20/h3-5,8-9,11-14,16-17H,6-7,10,15H2,1-2H3,(H,29,30)