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

Systemtic Name: (2S)-6-[(2S)-2-chloranylpropanoyl]-4-hexyl-2-methyl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-[(2S)-2-chloropropanoyl]-4-hexyl-2-methyl-1,4-benzoxazin-3-one CAS Name: (2S)-6-[(2S)-2-chloro-1-oxopropyl]-4-hexyl-2-methyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-[(2S)-2-chloropropanoyl]-4-hexyl-2-methyl-1,4-benzoxazin-3-one Traditional Name: (2S)-6-[(2S)-2-chloropropanoyl]-4-hexyl-2-methyl-1,4-benzoxazin-3-one Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)C(=O)C(C)Cl)OC(C1=O)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)C(=O)[C@H](C)Cl)O[C@H](C1=O)C

InChI

InChI=1S/C18H24ClNO3/c1-4-5-6-7-10-20-15-11-14(17(21)12(2)19)8-9-16(15)23-13(3)18(20)22/h8-9,11-13H,4-7,10H2,1-3H3/t12-,13-/m0/s1