2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-ethynyl-pyrrolidin-1-yl]-N,N-dibutyl-ethanamide

Systemtic Name: 2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-ethynyl-pyrrolidin-1-yl]-N,N-dibutyl-ethanamide Openeye Name: 2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-ethynyl-pyrrolidin-1-yl]-N,N-dibutyl-acetamide CAS Name: 2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-ethynyl-1-pyrrolidinyl]-N,N-dibutylacetamide IUPAC Name: 2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-ethynylpyrrolidin-1-yl]-N,N-dibutylacetamide Traditional Name: 2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-ethynyl-pyrrolidino]-N,N-dibutyl-acetamide Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(CC1C#C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1C[C@@H](C[C@H]1C#C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H32N2O3/c1-4-7-11-24(12-8-5-2)23(26)16-25-15-19(13-20(25)6-3)18-9-10-21-22(14-18)28-17-27-21/h3,9-10,14,19-20H,4-5,7-8,11-13,15-17H2,1-2H3/t19-,20-/m1/s1