2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=CN2)Br)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC(=CN2)Br)O

InChI

InChI=1S/C14H13BrN2O4/c15-9-6-11(16-7-9)13(19)17-12(14(20)21)5-8-1-3-10(18)4-2-8/h1-4,6-7,12,16,18H,5H2,(H,17,19)(H,20,21)