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

Systemtic Name: (2S)-6-butanoyl-4-butyl-2-methyl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-butanoyl-4-butyl-2-methyl-1,4-benzoxazin-3-one CAS Name: (2S)-4-butyl-2-methyl-6-(1-oxobutyl)-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-butanoyl-4-butyl-2-methyl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-butyl-6-butyryl-2-methyl-1,4-benzoxazin-3-one Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(=O)CCC)OC(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C(=O)CCC)O[C@H](C1=O)C

InChI

InChI=1S/C17H23NO3/c1-4-6-10-18-14-11-13(15(19)7-5-2)8-9-16(14)21-12(3)17(18)20/h8-9,11-12H,4-7,10H2,1-3H3/t12-/m0/s1