ethyl (2S)-2-azanyl-3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: ethyl (2S)-2-amino-3-(1,3-benzodioxol-5-yl)propanoate CAS Name: (2S)-2-amino-3-(1,3-benzodioxol-5-yl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: (2S)-2-amino-3-(1,3-benzodioxol-5-yl)propionic acid ethyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC2=C(C=C1)OCO2)N

InChI

InChI=1S/C12H15NO4/c1-2-15-12(14)9(13)5-8-3-4-10-11(6-8)17-7-16-10/h3-4,6,9H,2,5,7,13H2,1H3/t9-/m0/s1