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

Systemtic Name: methyl 3-[[4-chloranyl-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoate CAS Name: 3-[[4-chloro-3,5-bis(3,4-dimethylphenyl)-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoate Traditional Name: 3-[[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C28H27ClN2O2 MolecularWeight: 458.97918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O2/c1-17-9-11-22(13-19(17)3)26-25(29)27(23-12-10-18(2)20(4)14-23)31(30-26)16-21-7-6-8-24(15-21)28(32)33-5/h6-15H,16H2,1-5H3