ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-propylpentyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-propylpentyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-propylpentyl)pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-propylpentyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-propylpentyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-propylpentyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CC1C(C(CN1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCCC(CCC)C[C@H]1[C@@H]([C@H](CN1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C22H33NO4/c1-4-7-15(8-5-2)11-18-21(22(24)25-6-3)17(13-23-18)16-9-10-19-20(12-16)27-14-26-19/h9-10,12,15,17-18,21,23H,4-8,11,13-14H2,1-3H3/t17-,18+,21-/m1/s1