methyl 3-[[4-bromanyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-bromanyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-bromo-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]benzoate CAS Name: 3-[[4-bromo-3,5-bis(3-methoxyphenyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-bromo-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 3-[[4-bromo-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C26H23BrN2O4 MolecularWeight: 507.37582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=NN2CC3=CC=CC(=C3)C(=O)OC)C4=CC(=CC=C4)OC)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=NN2CC3=CC=CC(=C3)C(=O)OC)C4=CC(=CC=C4)OC)Br

InChI

InChI=1S/C26H23BrN2O4/c1-31-21-11-5-8-18(14-21)24-23(27)25(19-9-6-12-22(15-19)32-2)29(28-24)16-17-7-4-10-20(13-17)26(30)33-3/h4-15H,16H2,1-3H3