2-[4-methoxy-2-(2-methylpropanoyl)-1H-phthalazin-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-methoxy-2-(2-methylpropanoyl)-1H-phthalazin-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[4-methoxy-2-(2-methylpropanoyl)-1H-phthalazin-1-yl]-2-methyl-propanoic acid CAS Name: 2-[4-methoxy-2-(2-methyl-1-oxopropyl)-1H-phthalazin-1-yl]-2-methylpropanoic acid IUPAC Name: 2-[4-methoxy-2-(2-methylpropanoyl)-1H-phthalazin-1-yl]-2-methylpropanoic acid Traditional Name: 2-(2-isobutyryl-4-methoxy-1H-phthalazin-1-yl)-2-methyl-propionic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(C2=CC=CC=C2C(=N1)OC)C(C)(C)C(=O)O

Isomeric SMILES

CC(C)C(=O)N1C(C2=CC=CC=C2C(=N1)OC)C(C)(C)C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-10(2)15(20)19-13(17(3,4)16(21)22)11-8-6-7-9-12(11)14(18-19)23-5/h6-10,13H,1-5H3,(H,21,22)