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

Systemtic Name: [4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-acetyloxybenzoate Openeye Name: (4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic 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-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl ester Formula: C29H28N2O6 MolecularWeight: 500.54242

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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=CC=C4OC(=O)C

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4OC(=O)C

InChI

InChI=1S/C29H28N2O6/c1-3-4-19-29(20-36-26(33)24-17-11-12-18-25(24)37-21(2)32)27(34)30(22-13-7-5-8-14-22)31(28(29)35)23-15-9-6-10-16-23/h5-18H,3-4,19-20H2,1-2H3