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

Systemtic Name: methyl 4-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoate CAS Name: 4-[[3,5-bis(3,4-dimethylphenyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 4-[[3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=C(C=C3)C(=O)OC)C4=CC(=C(C=C4)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NN2CC3=CC=C(C=C3)C(=O)OC)C4=CC(=C(C=C4)C)C)C

InChI

InChI=1S/C28H28N2O2/c1-18-6-10-24(14-20(18)3)26-16-27(25-11-7-19(2)21(4)15-25)30(29-26)17-22-8-12-23(13-9-22)28(31)32-5/h6-16H,17H2,1-5H3