dimethyl 3-[4-[2-(2,3,4-trimethoxyphenyl)ethanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[2-(2,3,4-trimethoxyphenyl)ethanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[1-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C21H27N3O8 MolecularWeight: 449.45438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)OC)OC

InChI

InChI=1S/C21H27N3O8/c1-28-16-7-6-13(20(31-4)21(16)32-5)8-17(25)23-14-11-22-24(12-14)15(9-18(26)29-2)10-19(27)30-3/h6-7,11-12,15H,8-10H2,1-5H3,(H,23,25)