3-(6-azanyl-2-pyridin-4-ylcarbonyl-1-benzofuran-3-yl)propanoic acid

Systemtic Name: 3-(6-azanyl-2-pyridin-4-ylcarbonyl-1-benzofuran-3-yl)propanoic acid Openeye Name: 3-[6-amino-2-(pyridine-4-carbonyl)benzofuran-3-yl]propanoic acid CAS Name: 3-[6-amino-2-[oxo(pyridin-4-yl)methyl]-3-benzofuranyl]propanoic acid IUPAC Name: 3-[6-amino-2-(pyridine-4-carbonyl)-1-benzofuran-3-yl]propanoic acid Traditional Name: 3-(6-amino-2-isonicotinoyl-benzofuran-3-yl)propionic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)OC(=C2CCC(=O)O)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1N)OC(=C2CCC(=O)O)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H14N2O4/c18-11-1-2-12-13(3-4-15(20)21)17(23-14(12)9-11)16(22)10-5-7-19-8-6-10/h1-2,5-9H,3-4,18H2,(H,20,21)