5-[(2S,5S)-5-butyl-1-(phenylmethyl)pyrrolidin-2-yl]pentan-2-one

Systemtic Name: 5-[(2S,5S)-5-butyl-1-(phenylmethyl)pyrrolidin-2-yl]pentan-2-one Openeye Name: 5-[(2S,5S)-1-benzyl-5-butyl-pyrrolidin-2-yl]pentan-2-one CAS Name: 5-[(2S,5S)-5-butyl-1-(phenylmethyl)-2-pyrrolidinyl]-2-pentanone IUPAC Name: 5-[(2S,5S)-1-benzyl-5-butylpyrrolidin-2-yl]pentan-2-one Traditional Name: 5-[(2S,5S)-1-benzyl-5-butyl-pyrrolidin-2-yl]pentan-2-one Formula: C20H31NO MolecularWeight: 301.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1CC2=CC=CC=C2)CCCC(=O)C

Isomeric SMILES

CCCC[C@H]1CC[C@@H](N1CC2=CC=CC=C2)CCCC(=O)C

InChI

InChI=1S/C20H31NO/c1-3-4-12-19-14-15-20(13-8-9-17(2)22)21(19)16-18-10-6-5-7-11-18/h5-7,10-11,19-20H,3-4,8-9,12-16H2,1-2H3/t19-,20-/m0/s1