3-(6-oxidanyl-1-oxidanylidene-3H-2-benzofuran-5-yl)-2-(2-phenylethanoylamino)propanoic acid

Systemtic Name: 3-(6-oxidanyl-1-oxidanylidene-3H-2-benzofuran-5-yl)-2-(2-phenylethanoylamino)propanoic acid Openeye Name: 3-(6-hydroxy-1-oxo-3H-isobenzofuran-5-yl)-2-[(2-phenylacetyl)amino]propanoic acid CAS Name: 3-(6-hydroxy-1-oxo-3H-isobenzofuran-5-yl)-2-[(1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: 3-(6-hydroxy-1-oxo-3H-2-benzofuran-5-yl)-2-[(2-phenylacetyl)amino]propanoic acid Traditional Name: 3-(6-hydroxy-1-keto-phthalan-5-yl)-2-[(2-phenylacetyl)amino]propionic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=C(C=C2C(=O)O1)O)CC(C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C2=CC(=C(C=C2C(=O)O1)O)CC(C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H17NO6/c21-16-9-14-13(10-26-19(14)25)7-12(16)8-15(18(23)24)20-17(22)6-11-4-2-1-3-5-11/h1-5,7,9,15,21H,6,8,10H2,(H,20,22)(H,23,24)