methyl 1-[2-[(3R,4S)-3-ethyl-1-pyridin-3-ylcarbonyl-piperidin-4-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-pyridin-3-ylcarbonyl-piperidin-4-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-(pyridine-3-carbonyl)-4-piperidyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3R,4S)-3-ethyl-1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3R,4S)-3-ethyl-1-nicotinoyl-4-piperidyl]acetyl]isonipecotic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)N2CCC(CC2)C(=O)OC)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC[C@H]1CN(CC[C@H]1CC(=O)N2CCC(CC2)C(=O)OC)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H31N3O4/c1-3-16-15-25(21(27)19-5-4-9-23-14-19)12-8-18(16)13-20(26)24-10-6-17(7-11-24)22(28)29-2/h4-5,9,14,16-18H,3,6-8,10-13,15H2,1-2H3/t16-,18-/m0/s1