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

Systemtic Name: ethyl 4-[[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(3S)-3-(3,4-dimethoxybenzoyl)-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(3S)-3-veratroylpiperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-4-29-21(26)19-16(11-22-23-19)13-24-9-5-6-15(12-24)20(25)14-7-8-17(27-2)18(10-14)28-3/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)/t15-/m0/s1