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

Systemtic Name: 2-[4-(dimethylamino)-1-methyl-2-(2-methylpropanoyl)phthalazin-1-yl]-2-methyl-propanoic acid Openeye Name: 2-[4-(dimethylamino)-1-methyl-2-(2-methylpropanoyl)phthalazin-1-yl]-2-methyl-propanoic acid CAS Name: 2-[4-(dimethylamino)-1-methyl-2-(2-methyl-1-oxopropyl)-1-phthalazinyl]-2-methylpropanoic acid IUPAC Name: 2-[4-(dimethylamino)-1-methyl-2-(2-methylpropanoyl)phthalazin-1-yl]-2-methylpropanoic acid Traditional Name: 2-[4-(dimethylamino)-2-isobutyryl-1-methyl-phthalazin-1-yl]-2-methyl-propionic acid Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-12(2)16(23)22-19(5,18(3,4)17(24)25)14-11-9-8-10-13(14)15(20-22)21(6)7/h8-12H,1-7H3,(H,24,25)