(phenylmethyl) (2S)-2-[2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[2-[3-phenylpropyl(4-pyridylmethyl)amino]acetyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[1-oxo-2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]ethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[2-[3-phenylpropyl(4-pyridylmethyl)amino]acetyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CN(CCCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CN(CCCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C29H33N3O3/c33-28(27-14-8-20-32(27)29(34)35-23-26-11-5-2-6-12-26)22-31(21-25-15-17-30-18-16-25)19-7-13-24-9-3-1-4-10-24/h1-6,9-12,15-18,27H,7-8,13-14,19-23H2/t27-/m0/s1