1-azanyl-3-(1,3-benzodioxol-4-ylmethyl)pentan-2-ol

Systemtic Name: 1-azanyl-3-(1,3-benzodioxol-4-ylmethyl)pentan-2-ol Openeye Name: 1-amino-3-(1,3-benzodioxol-4-ylmethyl)pentan-2-ol CAS Name: 1-amino-3-(1,3-benzodioxol-4-ylmethyl)-2-pentanol IUPAC Name: 1-amino-3-(1,3-benzodioxol-4-ylmethyl)pentan-2-ol Traditional Name: 1-amino-3-(1,3-benzodioxol-4-ylmethyl)pentan-2-ol Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C2C(=CC=C1)OCO2)C(CN)O

Isomeric SMILES

CCC(CC1=C2C(=CC=C1)OCO2)C(CN)O

InChI

InChI=1S/C13H19NO3/c1-2-9(11(15)7-14)6-10-4-3-5-12-13(10)17-8-16-12/h3-5,9,11,15H,2,6-8,14H2,1H3