1,3-benzoxazol-2-ylmethyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H18ClN3O3/c1-13-7-9-15(10-8-13)11-25-20(22)19(14(2)24-25)21(26)27-12-18-23-16-5-3-4-6-17(16)28-18/h3-10H,11-12H2,1-2H3