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

Systemtic Name: [(3R,4S)-4-(2-methoxyethoxymethoxy)-1-(phenylmethyl)pyrrolidin-3-yl] benzoate Openeye Name: [(3R,4S)-1-benzyl-4-(2-methoxyethoxymethoxy)pyrrolidin-3-yl] benzoate CAS Name: benzoic acid [(3R,4S)-4-(2-methoxyethoxymethoxy)-1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3R,4S)-1-benzyl-4-(2-methoxyethoxymethoxy)pyrrolidin-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S)-1-benzyl-4-(2-methoxyethoxymethoxy)pyrrolidin-3-yl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1CN(CC1OC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COCCOCO[C@H]1CN(C[C@H]1OC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO5/c1-25-12-13-26-17-27-20-15-23(14-18-8-4-2-5-9-18)16-21(20)28-22(24)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3/t20-,21+/m0/s1