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

Systemtic Name: methyl 4-[[4-bromanyl-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-bromo-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoate CAS Name: 4-[[4-bromo-3,5-bis(3,4-dimethoxyphenyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-bromo-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 4-[[4-bromo-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C28H27BrN2O6 MolecularWeight: 567.42778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27BrN2O6/c1-33-21-12-10-19(14-23(21)35-3)26-25(29)27(20-11-13-22(34-2)24(15-20)36-4)31(30-26)16-17-6-8-18(9-7-17)28(32)37-5/h6-15H,16H2,1-5H3