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

Systemtic Name: [4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 2-phenylethanoate Openeye Name: (4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl 2-phenylacetate CAS Name: 2-phenylacetic 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-phenylacetate Traditional Name: 2-phenylacetic acid (4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)COC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O4/c1-2-3-19-28(21-34-25(31)20-22-13-7-4-8-14-22)26(32)29(23-15-9-5-10-16-23)30(27(28)33)24-17-11-6-12-18-24/h4-18H,2-3,19-21H2,1H3