ethyl 1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(2-ethoxy-3-pyridyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(2-ethoxy-3-pyridinyl)methyl]-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[(2-ethoxy-3-pyridyl)methyl]nipecotoyl]isonipecotic acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C22H33N3O4/c1-3-28-20-18(7-5-11-23-20)15-24-12-6-8-19(16-24)21(26)25-13-9-17(10-14-25)22(27)29-4-2/h5,7,11,17,19H,3-4,6,8-10,12-16H2,1-2H3