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

Systemtic Name: (2S)-6-butanoyl-4-hexyl-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-butanoyl-4-hexyl-2-isopropyl-1,4-benzoxazin-3-one CAS Name: (2S)-4-hexyl-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-butanoyl-4-hexyl-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2S)-6-butyryl-4-hexyl-2-isopropyl-1,4-benzoxazin-3-one Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO3/c1-5-7-8-9-13-22-17-14-16(18(23)10-6-2)11-12-19(17)25-20(15(3)4)21(22)24/h11-12,14-15,20H,5-10,13H2,1-4H3/t20-/m0/s1