6-butanoyl-2,2-dimethyl-4-(phenylmethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-butanoyl-2,2-dimethyl-4-(phenylmethyl)-1,4-benzoxazin-3-one Openeye Name: 4-benzyl-6-butanoyl-2,2-dimethyl-1,4-benzoxazin-3-one CAS Name: 2,2-dimethyl-6-(1-oxobutyl)-4-(phenylmethyl)-1,4-benzoxazin-3-one IUPAC Name: 4-benzyl-6-butanoyl-2,2-dimethyl-1,4-benzoxazin-3-one Traditional Name: 4-benzyl-6-butyryl-2,2-dimethyl-1,4-benzoxazin-3-one Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC=C3)(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C21H23NO3/c1-4-8-18(23)16-11-12-19-17(13-16)22(20(24)21(2,3)25-19)14-15-9-6-5-7-10-15/h5-7,9-13H,4,8,14H2,1-3H3