3-[1-(4-hydroxyphenyl)-5-[5-(2-methylimidazol-1-yl)thiophen-2-yl]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-hydroxyphenyl)-5-[5-(2-methylimidazol-1-yl)thiophen-2-yl]pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-hydroxyphenyl)-5-[5-(2-methylimidazol-1-yl)-2-thienyl]pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-hydroxyphenyl)-5-[5-(2-methyl-1-imidazolyl)-2-thiophenyl]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-hydroxyphenyl)-5-[5-(2-methylimidazol-1-yl)thiophen-2-yl]pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-hydroxyphenyl)-5-[5-(2-methylimidazol-1-yl)-2-thienyl]pyrrol-2-yl]propionic acid Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(S2)C3=CC=C(N3C4=CC=C(C=C4)O)CCC(=O)O

Isomeric SMILES

CC1=NC=CN1C2=CC=C(S2)C3=CC=C(N3C4=CC=C(C=C4)O)CCC(=O)O

InChI

InChI=1S/C21H19N3O3S/c1-14-22-12-13-23(14)20-10-9-19(28-20)18-8-4-16(5-11-21(26)27)24(18)15-2-6-17(25)7-3-15/h2-4,6-10,12-13,25H,5,11H2,1H3,(H,26,27)