(1S)-1-[(3S,4R)-4-oxidanyl-1-(pyren-1-ylmethyl)pyrrolidin-3-yl]ethane-1,2-diol

Systemtic Name: (1S)-1-[(3S,4R)-4-oxidanyl-1-(pyren-1-ylmethyl)pyrrolidin-3-yl]ethane-1,2-diol Openeye Name: (1S)-1-[(3S,4R)-4-hydroxy-1-(pyren-1-ylmethyl)pyrrolidin-3-yl]ethane-1,2-diol CAS Name: (1S)-1-[(3S,4R)-4-hydroxy-1-(1-pyrenylmethyl)-3-pyrrolidinyl]ethane-1,2-diol IUPAC Name: (1S)-1-[(3S,4R)-4-hydroxy-1-(pyren-1-ylmethyl)pyrrolidin-3-yl]ethane-1,2-diol Traditional Name: (1S)-1-[(3S,4R)-4-hydroxy-1-(pyren-1-ylmethyl)pyrrolidin-3-yl]ethane-1,2-diol Formula: C23H23NO3 MolecularWeight: 361.43362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)C(CO)O

Isomeric SMILES

C1[C@@H]([C@H](CN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)[C@@H](CO)O

InChI

InChI=1S/C23H23NO3/c25-13-21(27)19-11-24(12-20(19)26)10-17-7-6-16-5-4-14-2-1-3-15-8-9-18(17)23(16)22(14)15/h1-9,19-21,25-27H,10-13H2/t19-,20-,21+/m0/s1