4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione; 2-(4-isobutylphenyl)propanoic acid CAS Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 4-butyl-1,2-diphenyl-pyrazolidine-3,5-quinone; 2-(4-isobutylphenyl)propionic acid Formula: C32H38N2O4 MolecularWeight: 514.65512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Isomeric SMILES

CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

InChI

InChI=1S/C19H20N2O2.C13H18O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-13,17H,2-3,14H2,1H3;4-7,9-10H,8H2,1-3H3,(H,14,15)