(2S,4R)-4-(2-adamantylamino)-1-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(2-adamantylamino)-1-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(2-adamantylamino)-1-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(2-adamantylamino)-1-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(2-adamantylamino)-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-4-(2-adamantylamino)-N-ethyl-1-o-veratryl-pyrrolidine-2-carboxamide Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(CN1CC2=C(C(=CC=C2)OC)OC)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@H](CN1CC2=C(C(=CC=C2)OC)OC)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H39N3O3/c1-4-27-26(30)22-13-21(28-24-19-9-16-8-17(11-19)12-20(24)10-16)15-29(22)14-18-6-5-7-23(31-2)25(18)32-3/h5-7,16-17,19-22,24,28H,4,8-15H2,1-3H3,(H,27,30)/t16?,17?,19?,20?,21-,22+,24?/m1/s1