(1-phenylmethoxycarbonylpyrrolidin-2-yl)methyl 5-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (1-phenylmethoxycarbonylpyrrolidin-2-yl)methyl 5-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (1-benzyloxycarbonylpyrrolidin-2-yl)methyl 5-isobutyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(2-methylpropyl)-1-phenyl-4-pyrazolecarboxylic acid (1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl ester IUPAC Name: (1-phenylmethoxycarbonylpyrrolidin-2-yl)methyl 5-(2-methylpropyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-isobutyl-1-phenyl-pyrazole-4-carboxylic acid (1-carbobenzoxypyrrolidin-2-yl)methyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4/c1-20(2)16-25-24(17-28-30(25)22-12-7-4-8-13-22)26(31)33-19-23-14-9-15-29(23)27(32)34-18-21-10-5-3-6-11-21/h3-8,10-13,17,20,23H,9,14-16,18-19H2,1-2H3