ethyl 4-(2-phenoxyethyl)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC(=NN2)C(C)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC(=NN2)C(C)C)CCOC3=CC=CC=C3

InChI

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