ethyl (3R)-1-[1-(4-methoxyphenyl)-5-propyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[1-(4-methoxyphenyl)-5-propyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[1-(4-methoxyphenyl)-5-propyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[1-(4-methoxyphenyl)-5-propylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)N3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C22H29N3O4/c1-4-7-20-19(14-23-25(20)17-9-11-18(28-3)12-10-17)21(26)24-13-6-8-16(15-24)22(27)29-5-2/h9-12,14,16H,4-8,13,15H2,1-3H3/t16-/m1/s1