(2R)-4-(2-methylprop-2-enyl)-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one

Systemtic Name: (2R)-4-(2-methylprop-2-enyl)-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one Openeye Name: (2R)-4-(2-methylallyl)-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one CAS Name: (2R)-4-(2-methylprop-2-enyl)-6-(1-oxopropyl)-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2R)-4-(2-methylprop-2-enyl)-2-phenyl-6-propanoyl-1,4-benzoxazin-3-one Traditional Name: (2R)-4-(2-methylallyl)-2-phenyl-6-propionyl-1,4-benzoxazin-3-one Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-4-18(23)16-10-11-19-17(12-16)22(13-14(2)3)21(24)20(25-19)15-8-6-5-7-9-15/h5-12,20H,2,4,13H2,1,3H3/t20-/m1/s1