1-(3-chlorophenyl)-2-methyl-butan-1-one; 6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-4-one

Systemtic Name: 1-(3-chlorophenyl)-2-methyl-butan-1-one; 6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-4-one Openeye Name: 1-(3-chlorophenyl)-2-methyl-butan-1-one; 6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-4-one CAS Name: 1-(3-chlorophenyl)-2-methyl-1-butanone; 6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-4-one IUPAC Name: 1-(3-chlorophenyl)-2-methylbutan-1-one; 6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-4-one Traditional Name: 1-(3-chlorophenyl)-2-methyl-butan-1-one; 6-phenyl-3-oxa-1-azabicyclo[3.1.0]hexan-4-one Formula: C21H22ClNO3 MolecularWeight: 371.85728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=CC(=CC=C1)Cl.C1N2C(C2C(=O)O1)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C(=O)C1=CC(=CC=C1)Cl.C1N2C(C2C(=O)O1)C3=CC=CC=C3

InChI

InChI=1S/C11H13ClO.C10H9NO2/c1-3-8(2)11(13)9-5-4-6-10(12)7-9;12-10-9-8(11(9)6-13-10)7-4-2-1-3-5-7/h4-8H,3H2,1-2H3;1-5,8-9H,6H2