ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CCCC(C2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)CN2CCC[C@@](C2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-25-17-19(15-23-25)16-24-13-8-11-22(18-24,21(26)27-4-2)12-14-28-20-9-6-5-7-10-20/h5-7,9-10,15,17H,3-4,8,11-14,16,18H2,1-2H3/t22-/m0/s1