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

Systemtic Name: 2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-pyrrolidin-2-yl]ethyl benzoate Openeye Name: 2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-pyrrolidin-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-2-pyrrolidinyl]ethyl ester IUPAC Name: 2-[(2S,3S,4R)-3,4-diethoxy-1-methylpyrrolidin-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-pyrrolidin-2-yl]ethyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(C(C1OCC)CCOC(=O)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-4-21-16-13-19(3)15(17(16)22-5-2)11-12-23-18(20)14-9-7-6-8-10-14/h6-10,15-17H,4-5,11-13H2,1-3H3/t15-,16+,17-/m0/s1