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

Systemtic Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pentyl-pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pentyl-pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pentyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pentylpyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-2-amyl-4-(1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(CN1)C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-3-5-6-7-15-18(19(21)22-4-2)14(11-20-15)13-8-9-16-17(10-13)24-12-23-16/h8-10,14-15,18,20H,3-7,11-12H2,1-2H3/t14-,15+,18-/m1/s1