4-[(2R,3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-pyrrolidin-2-yl]butan-2-one

Systemtic Name: 4-[(2R,3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-pyrrolidin-2-yl]butan-2-one Openeye Name: 4-[(2R,3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-pyrrolidin-2-yl]butan-2-one CAS Name: 4-[(2R,3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-pyrrolidinyl]-2-butanone IUPAC Name: 4-[(2R,3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxypyrrolidin-2-yl]butan-2-one Traditional Name: 4-[(2R,3S)-3-hydroxy-1-piperonyl-pyrrolidin-2-yl]butan-2-one Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1C(CCN1CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(=O)CC[C@@H]1[C@H](CCN1CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H21NO4/c1-11(18)2-4-13-14(19)6-7-17(13)9-12-3-5-15-16(8-12)21-10-20-15/h3,5,8,13-14,19H,2,4,6-7,9-10H2,1H3/t13-,14+/m1/s1