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

Systemtic Name: ethyl (3S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]nipecotic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-5-29-21(25)14-7-6-8-24(12-14)13-16-11-22-23-19(16)15-9-17(26-2)20(28-4)18(10-15)27-3/h9-11,14H,5-8,12-13H2,1-4H3,(H,22,23)/t14-/m0/s1