[4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2,2-dimethylpropanoate Openeye Name: (4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C(C)(C)C

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C(C)(C)C

InChI

InChI=1S/C25H30N2O4/c1-5-6-17-25(18-31-23(30)24(2,3)4)21(28)26(19-13-9-7-10-14-19)27(22(25)29)20-15-11-8-12-16-20/h7-16H,5-6,17-18H2,1-4H3