6-butanoyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-butanoyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-butanoyl-4-(p-tolylmethyl)-1,4-benzoxazin-3-one CAS Name: 4-[(4-methylphenyl)methyl]-6-(1-oxobutyl)-1,4-benzoxazin-3-one IUPAC Name: 6-butanoyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-butyryl-4-(4-methylbenzyl)-1,4-benzoxazin-3-one Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/c1-3-4-18(22)16-9-10-19-17(11-16)21(20(23)13-24-19)12-15-7-5-14(2)6-8-15/h5-11H,3-4,12-13H2,1-2H3