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

Systemtic Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)-4-piperidyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)-4-piperidinyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-4-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)-4-piperidyl]acetyl]isonipecotic acid methyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)N2CCC(CC2)C(=O)OC)CC3=CC=NC=C3

Isomeric SMILES

CC[C@H]1CN(CC[C@H]1CC(=O)N2CCC(CC2)C(=O)OC)CC3=CC=NC=C3

InChI

InChI=1S/C22H33N3O3/c1-3-18-16-24(15-17-4-9-23-10-5-17)11-6-20(18)14-21(26)25-12-7-19(8-13-25)22(27)28-2/h4-5,9-10,18-20H,3,6-8,11-16H2,1-2H3/t18-,20-/m0/s1