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

Systemtic Name: 2-[(2S,3S,4R)-3,4-diethoxy-1-(phenylmethyl)pyrrolidin-2-yl]ethyl benzoate Openeye Name: 2-[(2S,3S,4R)-1-benzyl-3,4-diethoxy-pyrrolidin-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[(2S,3S,4R)-3,4-diethoxy-1-(phenylmethyl)-2-pyrrolidinyl]ethyl ester IUPAC Name: 2-[(2S,3S,4R)-1-benzyl-3,4-diethoxypyrrolidin-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-[(2S,3S,4R)-1-benzyl-3,4-diethoxy-pyrrolidin-2-yl]ethyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(C(C1OCC)CCOC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCO[C@@H]1CN([C@H]([C@@H]1OCC)CCOC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4/c1-3-27-22-18-25(17-19-11-7-5-8-12-19)21(23(22)28-4-2)15-16-29-24(26)20-13-9-6-10-14-20/h5-14,21-23H,3-4,15-18H2,1-2H3/t21-,22+,23-/m0/s1