2-[ethanoyl-[2-(phenylcarbonyl)-1-benzofuran-3-yl]amino]ethanoic acid hydrate

Systemtic Name: 2-[ethanoyl-[2-(phenylcarbonyl)-1-benzofuran-3-yl]amino]ethanoic acid hydrate Openeye Name: 2-[acetyl-(2-benzoylbenzofuran-3-yl)amino]acetic acid hydrate CAS Name: 2-[acetyl-(2-benzoyl-3-benzofuranyl)amino]acetic acid hydrate IUPAC Name: 2-[acetyl-(2-benzoyl-1-benzofuran-3-yl)amino]acetic acid hydrate Traditional Name: 2-[acetyl-(2-benzoylbenzofuran-3-yl)amino]acetic acid hydrate Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)O)C1=C(OC2=CC=CC=C21)C(=O)C3=CC=CC=C3.O

Isomeric SMILES

CC(=O)N(CC(=O)O)C1=C(OC2=CC=CC=C21)C(=O)C3=CC=CC=C3.O

InChI

InChI=1S/C19H15NO5.H2O/c1-12(21)20(11-16(22)23)17-14-9-5-6-10-15(14)25-19(17)18(24)13-7-3-2-4-8-13;/h2-10H,11H2,1H3,(H,22,23);1H2