ethyl (1R,2S)-2-[[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-3-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-[[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-3-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-[[1-[(2-ethoxy-3-pyridyl)methyl]piperidine-3-carbonyl]amino]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[1-[(2-ethoxy-3-pyridinyl)methyl]-3-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-[[1-[(2-ethoxypyridin-3-yl)methyl]piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[1-[(2-ethoxy-3-pyridyl)methyl]nipecotoyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)NC3CCCCC3C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)OCC

InChI

InChI=1S/C23H35N3O4/c1-3-29-22-18(9-7-13-24-22)16-26-14-8-10-17(15-26)21(27)25-20-12-6-5-11-19(20)23(28)30-4-2/h7,9,13,17,19-20H,3-6,8,10-12,14-16H2,1-2H3,(H,25,27)/t17?,19-,20+/m1/s1