methyl 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoate

Systemtic Name: methyl 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propanoate Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)ethylamino]propionic acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NCCC(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NCCC(=O)OC

InChI

InChI=1S/C13H17NO4/c1-9(14-6-5-13(15)16-2)10-3-4-11-12(7-10)18-8-17-11/h3-4,7,9,14H,5-6,8H2,1-2H3