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

Systemtic Name: [4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 4-tert-butylbenzoate Openeye Name: (4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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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)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H34N2O4/c1-5-6-21-31(22-37-27(34)23-17-19-24(20-18-23)30(2,3)4)28(35)32(25-13-9-7-10-14-25)33(29(31)36)26-15-11-8-12-16-26/h7-20H,5-6,21-22H2,1-4H3