(2S)-6-butanoyl-4-hexyl-2-methyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-butanoyl-4-hexyl-2-methyl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-butanoyl-4-hexyl-2-methyl-1,4-benzoxazin-3-one CAS Name: (2S)-4-hexyl-2-methyl-6-(1-oxobutyl)-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-butanoyl-4-hexyl-2-methyl-1,4-benzoxazin-3-one Traditional Name: (2S)-6-butyryl-4-hexyl-2-methyl-1,4-benzoxazin-3-one Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO3/c1-4-6-7-8-12-20-16-13-15(17(21)9-5-2)10-11-18(16)23-14(3)19(20)22/h10-11,13-14H,4-9,12H2,1-3H3/t14-/m0/s1