ethyl 4-[[(3S)-3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[(3S)-3-(4-tert-butylphenyl)carbonylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3S)-3-(4-tert-butylbenzoyl)-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3S)-3-[(4-tert-butylphenyl)-oxomethyl]-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-(4-tert-butylbenzoyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3S)-3-(4-tert-butylbenzoyl)piperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H31N3O3/c1-5-29-22(28)20-18(13-24-25-20)15-26-12-6-7-17(14-26)21(27)16-8-10-19(11-9-16)23(2,3)4/h8-11,13,17H,5-7,12,14-15H2,1-4H3,(H,24,25)/t17-/m0/s1