4-(2,2-dimethyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2,2-dimethyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,2-dimethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-4-oxo-butanoic acid CAS Name: 4-(2,2-dimethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-4-oxobutanoic acid IUPAC Name: 4-(2,2-dimethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-4-oxobutanoic acid Traditional Name: 4-(4-amyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)-4-keto-butyric acid Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)(C)C

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)(C)C

InChI

InChI=1S/C19H25NO5/c1-4-5-6-11-20-14-12-13(15(21)8-10-17(22)23)7-9-16(14)25-19(2,3)18(20)24/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,22,23)