4-[2,2-dimethyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,2-dimethyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-isopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxo-butanoic acid CAS Name: 4-[2,2-dimethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[2,2-dimethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-(4-isoamyl-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:

CC(C)CCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)(C)C

InChI

InChI=1S/C19H25NO5/c1-12(2)9-10-20-14-11-13(15(21)6-8-17(22)23)5-7-16(14)25-19(3,4)18(20)24/h5,7,11-12H,6,8-10H2,1-4H3,(H,22,23)