2-acetamido-3-phenyl-propanoic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: 2-acetamido-3-phenyl-propanoic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 2-acetamido-3-phenyl-propanoic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 2-acetamido-3-phenylpropanoic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 2-acetamido-3-phenylpropanoic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 2-acetamido-3-phenyl-propionic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C11H13NO3.C6H4O/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;1-2-5-4-6(3-1)7-5/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15);1-4H