2-(3-bromanylpyrrol-1-yl)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-(3-bromanylpyrrol-1-yl)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-(3-bromopyrrol-1-yl)-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-(3-bromo-1-pyrrolyl)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-(3-bromopyrrol-1-yl)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-(3-bromopyrrol-1-yl)-3-(4-hydroxyphenyl)propionic acid Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N2C=CC(=C2)Br)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N2C=CC(=C2)Br)O

InChI

InChI=1S/C13H12BrNO3/c14-10-5-6-15(8-10)12(13(17)18)7-9-1-3-11(16)4-2-9/h1-6,8,12,16H,7H2,(H,17,18)