(2S)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-4-pentyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-[(2S)-2-chloranylpropanoyl]-2-methyl-4-pentyl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-[(2S)-2-chloropropanoyl]-2-methyl-4-pentyl-1,4-benzoxazin-3-one CAS Name: (2S)-6-[(2S)-2-chloro-1-oxopropyl]-2-methyl-4-pentyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-[(2S)-2-chloropropanoyl]-2-methyl-4-pentyl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-amyl-6-[(2S)-2-chloropropanoyl]-2-methyl-1,4-benzoxazin-3-one Formula: C17H22ClNO3 MolecularWeight: 323.81448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C(=O)C(C)Cl)OC(C1=O)C

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)C(=O)[C@H](C)Cl)O[C@H](C1=O)C

InChI

InChI=1S/C17H22ClNO3/c1-4-5-6-9-19-14-10-13(16(20)11(2)18)7-8-15(14)22-12(3)17(19)21/h7-8,10-12H,4-6,9H2,1-3H3/t11-,12-/m0/s1