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

Systemtic Name: methyl 5-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[3,5-bis(3,4-dimethylphenyl)-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC(=C(C=C4)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=C(O3)C(=O)OC)C4=CC(=C(C=C4)C)C)C

InChI

InChI=1S/C26H26N2O3/c1-16-6-8-20(12-18(16)3)23-14-24(21-9-7-17(2)19(4)13-21)28(27-23)15-22-10-11-25(31-22)26(29)30-5/h6-14H,15H2,1-5H3