(2S,4S)-N-ethyl-4-[(3-phenoxyphenyl)methylamino]-1-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-N-ethyl-4-[(3-phenoxyphenyl)methylamino]-1-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-1-benzyl-N-ethyl-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-ethyl-4-[(3-phenoxyphenyl)methylamino]-1-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-1-benzyl-N-ethyl-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-1-benzyl-N-ethyl-4-[(3-phenoxybenzyl)amino]pyrrolidine-2-carboxamide Formula: C27H31N3O2 MolecularWeight: 429.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(CN1CC2=CC=CC=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@@H](CN1CC2=CC=CC=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-2-28-27(31)26-17-23(20-30(26)19-21-10-5-3-6-11-21)29-18-22-12-9-15-25(16-22)32-24-13-7-4-8-14-24/h3-16,23,26,29H,2,17-20H2,1H3,(H,28,31)/t23-,26-/m0/s1