2-[2-(3-methyl-2-oxidanylidene-butanoyl)pyrazolidin-1-yl]carbonyloxy-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(3-methyl-2-oxidanylidene-butanoyl)pyrazolidin-1-yl]carbonyloxy-3-phenyl-propanoic acid Openeye Name: 2-[2-(3-methyl-2-oxo-butanoyl)pyrazolidine-1-carbonyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[[2-(3-methyl-1,2-dioxobutyl)-1-pyrazolidinyl]-oxomethoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-(3-methyl-2-oxobutanoyl)pyrazolidine-1-carbonyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[2-(2-keto-3-methyl-butanoyl)pyrazolidine-1-carbonyl]oxy-3-phenyl-propionic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=O)N1CCCN1C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)C(=O)N1CCCN1C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H22N2O6/c1-12(2)15(21)16(22)19-9-6-10-20(19)18(25)26-14(17(23)24)11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,23,24)