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

Systemtic Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pent-4-enyl-pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pent-4-enyl-pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pent-4-enyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pent-4-enylpyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-pent-4-enyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1CCCC=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCCC=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25NO4/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/h3,8-10,14-15,18,20H,1,4-7,11-12H2,2H3/t14-,15+,18-/m1/s1