[5-oxidanylidene-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [5-oxidanylidene-4-(3-oxidanylidenebutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: [5-oxo-4-(3-oxobutyl)-1,2-diphenyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [5-oxo-4-(3-oxobutyl)-1,2-diphenyl-3-pyrazolyl] ester IUPAC Name: [5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [5-keto-4-(3-ketobutyl)-1,2-diphenyl-3-pyrazolin-3-yl] ester Formula: C29H28N2O7 MolecularWeight: 516.54182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C29H28N2O7/c1-19(32)15-16-23-27(33)30(21-11-7-5-8-12-21)31(22-13-9-6-10-14-22)28(23)38-29(34)20-17-24(35-2)26(37-4)25(18-20)36-3/h5-14,17-18H,15-16H2,1-4H3