(2R)-6-butanoyl-4-(2-morpholin-4-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-butanoyl-4-(2-morpholin-4-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Openeye Name: (2R)-6-butanoyl-2-isopropyl-4-(2-morpholinoethyl)-1,4-benzoxazin-3-one CAS Name: (2R)-4-[2-(4-morpholinyl)ethyl]-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-butanoyl-4-(2-morpholin-4-ylethyl)-2-propan-2-yl-1,4-benzoxazin-3-one Traditional Name: (2R)-6-butyryl-2-isopropyl-4-(2-morpholinoethyl)-1,4-benzoxazin-3-one Formula: C21H30N2O4 MolecularWeight: 374.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCN3CCOCC3)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCN3CCOCC3)C(C)C

InChI

InChI=1S/C21H30N2O4/c1-4-5-18(24)16-6-7-19-17(14-16)23(21(25)20(27-19)15(2)3)9-8-22-10-12-26-13-11-22/h6-7,14-15,20H,4-5,8-13H2,1-3H3/t20-/m1/s1