(2S,4R)-4-(2-adamantylamino)-N-ethyl-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(2-adamantylamino)-N-ethyl-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(2-adamantylamino)-N-ethyl-1-(2-naphthylmethyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(2-adamantylamino)-N-ethyl-1-(2-naphthalenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(2-adamantylamino)-N-ethyl-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(2-adamantylamino)-N-ethyl-1-(2-naphthylmethyl)pyrrolidine-2-carboxamide Formula: C28H37N3O MolecularWeight: 431.61288

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(CN1CC2=CC3=CC=CC=C3C=C2)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@H](CN1CC2=CC3=CC=CC=C3C=C2)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H37N3O/c1-2-29-28(32)26-15-25(30-27-23-11-19-9-20(13-23)14-24(27)12-19)17-31(26)16-18-7-8-21-5-3-4-6-22(21)10-18/h3-8,10,19-20,23-27,30H,2,9,11-17H2,1H3,(H,29,32)/t19?,20?,23?,24?,25-,26+,27?/m1/s1