ethyl (3S)-3-[(2-methylphenyl)methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[3-(5-methyl-1-pyrazolyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-[3-(5-methylpyrazol-1-yl)propanoyl]nipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C(=CC=N2)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCN2C(=CC=N2)C)CC3=CC=CC=C3C

InChI

InChI=1S/C23H31N3O3/c1-4-29-22(28)23(16-20-9-6-5-8-18(20)2)12-7-14-25(17-23)21(27)11-15-26-19(3)10-13-24-26/h5-6,8-10,13H,4,7,11-12,14-17H2,1-3H3/t23-/m0/s1