ethyl (3S)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]nipecotic acid ethyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=C(NN=C2)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C20H27N3O4/c1-4-27-20(24)14-6-5-9-23(12-14)13-15-11-21-22-19(15)17-8-7-16(25-2)10-18(17)26-3/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,21,22)/t14-/m0/s1