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

Systemtic Name: (2S)-6-butanoyl-4-butyl-2-phenyl-1,4-benzoxazin-3-one Openeye Name: (2S)-6-butanoyl-4-butyl-2-phenyl-1,4-benzoxazin-3-one CAS Name: (2S)-4-butyl-6-(1-oxobutyl)-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-butanoyl-4-butyl-2-phenyl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-butyl-6-butyryl-2-phenyl-1,4-benzoxazin-3-one Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(=O)CCC)OC(C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C(=O)CCC)O[C@H](C1=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-3-5-14-23-18-15-17(19(24)9-4-2)12-13-20(18)26-21(22(23)25)16-10-7-6-8-11-16/h6-8,10-13,15,21H,3-5,9,14H2,1-2H3/t21-/m0/s1