4-[(2S,5S)-5-butylpyrrolidin-2-yl]butyl benzoate

Systemtic Name: 4-[(2S,5S)-5-butylpyrrolidin-2-yl]butyl benzoate Openeye Name: 4-[(2S,5S)-5-butylpyrrolidin-2-yl]butyl benzoate CAS Name: benzoic acid 4-[(2S,5S)-5-butyl-2-pyrrolidinyl]butyl ester IUPAC Name: 4-[(2S,5S)-5-butylpyrrolidin-2-yl]butyl benzoate Traditional Name: benzoic acid 4-[(2S,5S)-5-butylpyrrolidin-2-yl]butyl ester Formula: C19H29NO2 MolecularWeight: 303.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1)CCCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC[C@H]1CC[C@@H](N1)CCCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H29NO2/c1-2-3-11-17-13-14-18(20-17)12-7-8-15-22-19(21)16-9-5-4-6-10-16/h4-6,9-10,17-18,20H,2-3,7-8,11-15H2,1H3/t17-,18-/m0/s1