4-[(2R,5R)-5-(4-phenylmethoxybutyl)pyrrolidin-2-yl]butyl benzoate

Systemtic Name: 4-[(2R,5R)-5-(4-phenylmethoxybutyl)pyrrolidin-2-yl]butyl benzoate Openeye Name: 4-[(2R,5R)-5-(4-benzyloxybutyl)pyrrolidin-2-yl]butyl benzoate CAS Name: benzoic acid 4-[(2R,5R)-5-(4-phenylmethoxybutyl)-2-pyrrolidinyl]butyl ester IUPAC Name: 4-[(2R,5R)-5-(4-phenylmethoxybutyl)pyrrolidin-2-yl]butyl benzoate Traditional Name: benzoic acid 4-[(2R,5R)-5-(4-benzoxybutyl)pyrrolidin-2-yl]butyl ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1CCCCOCC2=CC=CC=C2)CCCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N[C@@H]1CCCCOCC2=CC=CC=C2)CCCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H35NO3/c28-26(23-13-5-2-6-14-23)30-20-10-8-16-25-18-17-24(27-25)15-7-9-19-29-21-22-11-3-1-4-12-22/h1-6,11-14,24-25,27H,7-10,15-21H2/t24-,25-/m1/s1