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

Systemtic Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-hexanoyl-piperidin-4-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-hexanoyl-4-piperidyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3R,4S)-3-ethyl-1-(1-oxohexyl)-4-piperidinyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3R,4S)-1-caproyl-3-ethyl-4-piperidyl]acetyl]isonipecotic acid methyl ester Formula: C22H38N2O4 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1)CC)CC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N1CC[C@H]([C@H](C1)CC)CC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C22H38N2O4/c1-4-6-7-8-20(25)24-14-11-19(17(5-2)16-24)15-21(26)23-12-9-18(10-13-23)22(27)28-3/h17-19H,4-16H2,1-3H3/t17-,19-/m0/s1