methyl 5-[[4-chloranyl-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-chloranyl-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-chloro-3,5-bis(3,4-dimethoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C26H25ClN2O7 MolecularWeight: 512.9389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC(=C(C=C4)OC)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC(=C(C=C4)OC)OC)Cl)OC

InChI

InChI=1S/C26H25ClN2O7/c1-31-18-9-6-15(12-21(18)33-3)24-23(27)25(16-7-10-19(32-2)22(13-16)34-4)29(28-24)14-17-8-11-20(36-17)26(30)35-5/h6-13H,14H2,1-5H3