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

Systemtic Name: (phenylmethyl) (2S)-1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[1-[(2-ethoxy-3-pyridyl)methyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-[(2-ethoxy-3-pyridinyl)methyl]-3-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[1-[(2-ethoxypyridin-3-yl)methyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-[(2-ethoxy-3-pyridyl)methyl]nipecotoyl]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)CN2CCCC(C2)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)N3CCC[C@H]3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4/c1-2-32-24-21(11-6-14-27-24)17-28-15-7-12-22(18-28)25(30)29-16-8-13-23(29)26(31)33-19-20-9-4-3-5-10-20/h3-6,9-11,14,22-23H,2,7-8,12-13,15-19H2,1H3/t22?,23-/m0/s1