(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(1-cyclohexenyl)ethylamino]-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol Traditional Name: (2S)-1-[2-(cyclohexen-1-yl)ethylamino]-3-piperonyloxy-propan-2-ol Formula: C19H27NO4 MolecularWeight: 333.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNCC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1CCC(=CC1)CCNC[C@@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C19H27NO4/c21-17(11-20-9-8-15-4-2-1-3-5-15)13-22-12-16-6-7-18-19(10-16)24-14-23-18/h4,6-7,10,17,20-21H,1-3,5,8-9,11-14H2/t17-/m0/s1