(phenylmethyl) (2S)-1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[1-[(2-ethoxy-3-pyridyl)methyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-[(2-ethoxy-3-pyridinyl)methyl]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-[(2-ethoxy-3-pyridyl)methyl]isonipecotoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CN2CCC(CC2)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC=N1)CN2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4/c1-2-32-24-22(10-6-14-27-24)18-28-16-12-21(13-17-28)25(30)29-15-7-11-23(29)26(31)33-19-20-8-4-3-5-9-20/h3-6,8-10,14,21,23H,2,7,11-13,15-19H2,1H3/t23-/m0/s1