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

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-3-m-anisyl-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=CC(=NN2)C(C)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CC(=NN2)C(C)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H33N3O3/c1-5-29-22(27)23(14-18-8-6-9-20(12-18)28-4)10-7-11-26(16-23)15-19-13-21(17(2)3)25-24-19/h6,8-9,12-13,17H,5,7,10-11,14-16H2,1-4H3,(H,24,25)/t23-/m0/s1