2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethyl benzoate

Systemtic Name: 2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethyl benzoate Openeye Name: 2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-2-pyrrolidinyl]ethyl ester IUPAC Name: 2-[(2S,3S,4R)-3,4-diethoxy-1-propylpyrrolidin-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(C(C1CCOC(=O)C2=CC=CC=C2)OCC)OCC

Isomeric SMILES

CCCN1C[C@H]([C@H]([C@@H]1CCOC(=O)C2=CC=CC=C2)OCC)OCC

InChI

InChI=1S/C20H31NO4/c1-4-13-21-15-18(23-5-2)19(24-6-3)17(21)12-14-25-20(22)16-10-8-7-9-11-16/h7-11,17-19H,4-6,12-15H2,1-3H3/t17-,18+,19-/m0/s1