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

Systemtic Name: ethyl (3S)-3-(2-phenoxyethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-3-(2-phenoxyethyl)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-phenoxyethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(1-isopropylpyrazol-4-yl)methyl]-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN(N=C2)C(C)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CN(N=C2)C(C)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O3/c1-4-28-22(27)23(12-14-29-21-9-6-5-7-10-21)11-8-13-25(18-23)16-20-15-24-26(17-20)19(2)3/h5-7,9-10,15,17,19H,4,8,11-14,16,18H2,1-3H3/t23-/m0/s1