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

Systemtic Name: methyl 3-[[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-methyl-3,5-bis(m-tolyl)pyrazol-1-yl]methyl]benzoate CAS Name: 3-[[4-methyl-3,5-bis(3-methylphenyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 3-[[4-methyl-3,5-bis(m-tolyl)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C27H26N2O2 MolecularWeight: 410.50754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2/c1-18-8-5-11-22(14-18)25-20(3)26(23-12-6-9-19(2)15-23)29(28-25)17-21-10-7-13-24(16-21)27(30)31-4/h5-16H,17H2,1-4H3