6-butanoyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-butanoyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one Openeye Name: 6-butanoyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one CAS Name: 6-(1-oxobutyl)-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one IUPAC Name: 6-butanoyl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one Traditional Name: 6-butyryl-4-(3-phenoxypropyl)-1,4-benzoxazin-3-one Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCOC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c1-2-7-19(23)16-10-11-20-18(14-16)22(21(24)15-26-20)12-6-13-25-17-8-4-3-5-9-17/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3