(phenylmethyl) 3-[6-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]hexanoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[6-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]hexanoylamino]propanoate Openeye Name: benzyl 3-[6-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]hexanoylamino]propanoate CAS Name: 3-[[1-oxo-6-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]hexyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[6-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]hexanoylamino]propanoate Traditional Name: 3-[6-[(2S)-2-(3-pyridyl)pyrrolidino]hexanoylamino]propionic acid benzyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCCCC(=O)NCCC(=O)OCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)CCCCCC(=O)NCCC(=O)OCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C25H33N3O3/c29-24(27-16-14-25(30)31-20-21-9-3-1-4-10-21)13-5-2-6-17-28-18-8-12-23(28)22-11-7-15-26-19-22/h1,3-4,7,9-11,15,19,23H,2,5-6,8,12-14,16-18,20H2,(H,27,29)/t23-/m0/s1