3,3,3-tris(fluoranyl)-2-[(4-hydroxyphenyl)methyl]-2-pyrrol-1-yl-propanoic acid

Systemtic Name: 3,3,3-tris(fluoranyl)-2-[(4-hydroxyphenyl)methyl]-2-pyrrol-1-yl-propanoic acid Openeye Name: 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]-2-pyrrol-1-yl-propanoic acid CAS Name: 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]-2-(1-pyrrolyl)propanoic acid IUPAC Name: 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]-2-pyrrol-1-ylpropanoic acid Traditional Name: 3,3,3-trifluoro-2-(4-hydroxybenzyl)-2-pyrrol-1-yl-propionic acid Formula: C14H12F3NO3 MolecularWeight: 299.24519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C(CC2=CC=C(C=C2)O)(C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CN(C=C1)C(CC2=CC=C(C=C2)O)(C(=O)O)C(F)(F)F

InChI

InChI=1S/C14H12F3NO3/c15-14(16,17)13(12(20)21,18-7-1-2-8-18)9-10-3-5-11(19)6-4-10/h1-8,19H,9H2,(H,20,21)