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

Systemtic Name: methyl 3-[[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoate CAS Name: 3-[[3,5-bis(3,4-dimethoxyphenyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 3-[[3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O6/c1-32-24-11-9-19(14-26(24)34-3)22-16-23(20-10-12-25(33-2)27(15-20)35-4)30(29-22)17-18-7-6-8-21(13-18)28(31)36-5/h6-16H,17H2,1-5H3