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

Systemtic Name: [4-butyl-3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]methyl 4-methoxybenzoate Openeye Name: (4-butyl-3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid (4-butyl-3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)methyl ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5/c1-3-4-19-28(20-35-25(31)21-15-17-24(34-2)18-16-21)26(32)29(22-11-7-5-8-12-22)30(27(28)33)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3